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

C12H19N7O — CID 64517209

IUPAC1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2ncn[nH]2)cnn1CCCN
InChIInChI=1S/C12H19N7O/c1-9-10(7-17-19(9)6-2-4-13)12(20)14-5-3-11-15-8-16-18-11/h7-8H,2-6,13H2,1H3,(H,14,20)(H,15,16,18)
InChIKeyRKBIBSSHVYZULL-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.37
Rot. Bonds7

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

1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 64517209) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
PubChem CID64517209
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2ncn[nH]2)cnn1CCCN
InChIInChI=1S/C12H19N7O/c1-9-10(7-17-19(9)6-2-4-13)12(20)14-5-3-11-15-8-16-18-11/h7-8H,2-6,13H2,1H3,(H,14,20)(H,15,16,18)
InChIKeyRKBIBSSHVYZULL-UHFFFAOYSA-N
XLogP-0.37
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide
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4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
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1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide
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6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide (CID 64517209) is 1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCCc2ncn[nH]2)cnn1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is RKBIBSSHVYZULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-9-10(7-17-19(9)6-2-4-13)12(20)14-5-3-11-15-8-16-18-11/h7-8H,2-6,13H2,1H3,(H,14,20)(H,15,16,18).
What are the key properties of 1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide?
1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64517209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).