N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide

C17H25N7O — CID 123333490

IUPACN-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCNC1(n2cc(C(NC(=O)c3cn[nH]c3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C17H25N7O/c1-18-17(7-8-17)24-11-14(22-23-24)15(12-5-3-2-4-6-12)21-16(25)13-9-19-20-10-13/h9-12,15,18H,2-8H2,1H3,(H,19,20)(H,21,25)
InChIKeyOMWVJVHSZQJXAW-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.72
Rot. Bonds6

About N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide

N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 123333490) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID123333490
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCNC1(n2cc(C(NC(=O)c3cn[nH]c3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C17H25N7O/c1-18-17(7-8-17)24-11-14(22-23-24)15(12-5-3-2-4-6-12)21-16(25)13-9-19-20-10-13/h9-12,15,18H,2-8H2,1H3,(H,19,20)(H,21,25)
InChIKeyOMWVJVHSZQJXAW-UHFFFAOYSA-N
XLogP1.72
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide (CID 123333490) is N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide is CNC1(n2cc(C(NC(=O)c3cn[nH]c3)C3CCCCC3)nn2)CC1.
What is the InChIKey of N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OMWVJVHSZQJXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-18-17(7-8-17)24-11-14(22-23-24)15(12-5-3-2-4-6-12)21-16(25)13-9-19-20-10-13/h9-12,15,18H,2-8H2,1H3,(H,19,20)(H,21,25).
What are the key properties of N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-[1-[1-(methylamino)cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 123333490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).