N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide

C16H27N7 — CID 123216980

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(C(C)C)CC1
InChIInChI=1S/C16H27N7/c1-11(2)22-5-7-23(8-6-22)15(18)10-14(17)19-16-9-13(20-21-16)12-3-4-12/h9,11-12,18H,3-8,10H2,1-2H3,(H3,17,19,20,21)/b18-15+
InChIKeyYJPJEWKQILDRAH-OBGWFSINSA-N
MW317.44 g/mol
LogP1.67
Rot. Bonds5

About N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide (PubChem CID 123216980) has the molecular formula C16H27N7 and a molecular weight of 317.44 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide
PubChem CID123216980
Molecular FormulaC16H27N7
Molecular Weight317.44 g/mol
Exact Mass317.23
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(C(C)C)CC1
InChIInChI=1S/C16H27N7/c1-11(2)22-5-7-23(8-6-22)15(18)10-14(17)19-16-9-13(20-21-16)12-3-4-12/h9,11-12,18H,3-8,10H2,1-2H3,(H3,17,19,20,21)/b18-15+
InChIKeyYJPJEWKQILDRAH-OBGWFSINSA-N
XLogP1.67
TPSA97.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(piperidin-4-yl)-1H-pyrazol-5-amine
CID 45792668
1-(3-cyclopropyl-1H-pyrazol-5-yl)piperazine
CID 63049913
1-[3-(1-methylcyclopropyl)-1H-pyrazol-5-yl]piperazine
CID 75356561
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-propylpiperazine-1-sulfonamide
CID 132383325
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide
CID 123691679
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide
CID 123827341
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123884886
5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine
CID 58029408
(E)-N'-(3-isopropyl-1H-pyrazol-5-yl)-N,N-dimethylformimidamide
CID 66643263
(Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine
CID 71098448
5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine
CID 76667931
N-cyclohexa-1,3-dien-1-yl-2-[[5-[(4E)-hepta-2,4-dien-4-yl]-1H-pyrazol-3-yl]imino]-N,5-dimethyl-7-(4-methylpiperazin-1-yl)-5,6-dihydro-1,3-diazepin-4-amine
CID 90901979

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide (CID 123216980) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(C(C)C)CC1.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
The InChIKey is YJPJEWKQILDRAH-OBGWFSINSA-N. The full InChI is InChI=1S/C16H27N7/c1-11(2)22-5-7-23(8-6-22)15(18)10-14(17)19-16-9-13(20-21-16)12-3-4-12/h9,11-12,18H,3-8,10H2,1-2H3,(H3,17,19,20,21)/b18-15+.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide has a molecular weight of 317.44 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 123216980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).