4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide

C10H15N7O — CID 65360012

IUPAC4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C10H15N7O/c1-17-9(7(11)5-15-17)10(18)12-4-2-3-8-13-6-14-16-8/h5-6H,2-4,11H2,1H3,(H,12,18)(H,13,14,16)
InChIKeyCQETXFJPKNJIBF-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.52
Rot. Bonds5

About 4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide

4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide (PubChem CID 65360012) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide
PubChem CID65360012
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C10H15N7O/c1-17-9(7(11)5-15-17)10(18)12-4-2-3-8-13-6-14-16-8/h5-6H,2-4,11H2,1H3,(H,12,18)(H,13,14,16)
InChIKeyCQETXFJPKNJIBF-UHFFFAOYSA-N
XLogP-0.52
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 65360013
3-amino-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518359
1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide
CID 64519526
2-amino-4,5-difluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518550
4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
CID 132586606
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518360
1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 64517209
N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide
CID 64546872
3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64547327
5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546656
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide (CID 65360012) is 4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide?
The InChIKey is CQETXFJPKNJIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-17-9(7(11)5-15-17)10(18)12-4-2-3-8-13-6-14-16-8/h5-6H,2-4,11H2,1H3,(H,12,18)(H,13,14,16).
What are the key properties of 4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide?
4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide has a molecular weight of 249.28 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65360012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).