N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide

C10H16F2N4O2 — CID 103205496

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide
SMILESCn1cc(CN)c(NC(=O)CCOCC(F)F)n1
InChIInChI=1S/C10H16F2N4O2/c1-16-5-7(4-13)10(15-16)14-9(17)2-3-18-6-8(11)12/h5,8H,2-4,6,13H2,1H3,(H,14,15,17)
InChIKeySIXOVKNWTFYWAW-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.49
Rot. Bonds7

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103205496) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide
PubChem CID103205496
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide
SMILESCn1cc(CN)c(NC(=O)CCOCC(F)F)n1
InChIInChI=1S/C10H16F2N4O2/c1-16-5-7(4-13)10(15-16)14-9(17)2-3-18-6-8(11)12/h5,8H,2-4,6,13H2,1H3,(H,14,15,17)
InChIKeySIXOVKNWTFYWAW-UHFFFAOYSA-N
XLogP0.49
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(1-isobutyl-4-methyl-1H-pyrazol-5-yl)propanamide
CID 132412401
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide
CID 132970581
2,2,2-trifluoroethyl N-[3-[[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]amino]-3-oxopropyl]carbamate
CID 51106697
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide
CID 79524021
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205495
N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205708
N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205710
N-(4-cyano-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208288
N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208296
N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103208297
N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208298
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103208464

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide (CID 103205496) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide is Cn1cc(CN)c(NC(=O)CCOCC(F)F)n1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is SIXOVKNWTFYWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-16-5-7(4-13)10(15-16)14-9(17)2-3-18-6-8(11)12/h5,8H,2-4,6,13H2,1H3,(H,14,15,17).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 262.26 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103205496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).