N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide

C19H30F3N7O — CID 169172572

IUPACN-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide
SMILESCNC(C(=O)Nc1cnn(C/C(=C/N)N(N)C(C)C(F)(F)F)c1)C(C1CC1)C1CC1
InChIInChI=1S/C19H30F3N7O/c1-11(19(20,21)22)29(24)15(7-23)10-28-9-14(8-26-28)27-18(30)17(25-2)16(12-3-4-12)13-5-6-13/h7-9,11-13,16-17,25H,3-6,10,23-24H2,1-2H3,(H,27,30)/b15-7-
InChIKeyQBACLIKSJCXTKQ-CHHVJCJISA-N
MW429.49 g/mol
LogP1.77
Rot. Bonds10

About N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide

N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide (PubChem CID 169172572) has the molecular formula C19H30F3N7O and a molecular weight of 429.49 g/mol. Its IUPAC name is N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide
PubChem CID169172572
Molecular FormulaC19H30F3N7O
Molecular Weight429.49 g/mol
Exact Mass429.25
IUPAC NameN-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide
SMILESCNC(C(=O)Nc1cnn(C/C(=C/N)N(N)C(C)C(F)(F)F)c1)C(C1CC1)C1CC1
InChIInChI=1S/C19H30F3N7O/c1-11(19(20,21)22)29(24)15(7-23)10-28-9-14(8-26-28)27-18(30)17(25-2)16(12-3-4-12)13-5-6-13/h7-9,11-13,16-17,25H,3-6,10,23-24H2,1-2H3,(H,27,30)/b15-7-
InChIKeyQBACLIKSJCXTKQ-CHHVJCJISA-N
XLogP1.77
TPSA114.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 76897580
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119796068
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide
CID 119728762
2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 61017978
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
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2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
CID 61018489
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728654

Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide?
The IUPAC name of N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide (CID 169172572) is N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide is CNC(C(=O)Nc1cnn(C/C(=C/N)N(N)C(C)C(F)(F)F)c1)C(C1CC1)C1CC1.
What is the InChIKey of N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide?
The InChIKey is QBACLIKSJCXTKQ-CHHVJCJISA-N. The full InChI is InChI=1S/C19H30F3N7O/c1-11(19(20,21)22)29(24)15(7-23)10-28-9-14(8-26-28)27-18(30)17(25-2)16(12-3-4-12)13-5-6-13/h7-9,11-13,16-17,25H,3-6,10,23-24H2,1-2H3,(H,27,30)/b15-7-.
What are the key properties of N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide?
N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide has a molecular weight of 429.49 g/mol, XLogP of 1.77, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-3-amino-2-[amino(1,1,1-trifluoropropan-2-yl)amino]prop-2-enyl]pyrazol-4-yl]-3,3-dicyclopropyl-2-(methylamino)propanamide is sourced from PubChem (CID 169172572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).