N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide

C12H18N6O — CID 125142947

IUPACN-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCc1nc([C@H](C)NC(=O)c2ccn(C(C)C)n2)n[nH]1
InChIInChI=1S/C12H18N6O/c1-7(2)18-6-5-10(17-18)12(19)13-8(3)11-14-9(4)15-16-11/h5-8H,1-4H3,(H,13,19)(H,14,15,16)/t8-/m0/s1
InChIKeyNIZPOAZUZXDLDV-QMMMGPOBSA-N
MW262.32 g/mol
LogP1.38
Rot. Bonds4

About N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 125142947) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID125142947
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCc1nc([C@H](C)NC(=O)c2ccn(C(C)C)n2)n[nH]1
InChIInChI=1S/C12H18N6O/c1-7(2)18-6-5-10(17-18)12(19)13-8(3)11-14-9(4)15-16-11/h5-8H,1-4H3,(H,13,19)(H,14,15,16)/t8-/m0/s1
InChIKeyNIZPOAZUZXDLDV-QMMMGPOBSA-N
XLogP1.38
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 56779749
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CID 72136181
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CID 72136185
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CID 72145740
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CID 171353921

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 125142947) is N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide is Cc1nc([C@H](C)NC(=O)c2ccn(C(C)C)n2)n[nH]1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is NIZPOAZUZXDLDV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N6O/c1-7(2)18-6-5-10(17-18)12(19)13-8(3)11-14-9(4)15-16-11/h5-8H,1-4H3,(H,13,19)(H,14,15,16)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 125142947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).