N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide

C18H25N7O — CID 123742236

IUPACN-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESC=NCC1(n2cc(C(NC(=O)c3ccn[nH]3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C18H25N7O/c1-19-12-18(8-9-18)25-11-15(23-24-25)16(13-5-3-2-4-6-13)21-17(26)14-7-10-20-22-14/h7,10-11,13,16H,1-6,8-9,12H2,(H,20,22)(H,21,26)
InChIKeyUUVJZAHKNUGFCH-UHFFFAOYSA-N
MW355.45 g/mol
LogP2.24
Rot. Bonds7

About N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide

N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 123742236) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID123742236
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC NameN-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESC=NCC1(n2cc(C(NC(=O)c3ccn[nH]3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C18H25N7O/c1-19-12-18(8-9-18)25-11-15(23-24-25)16(13-5-3-2-4-6-13)21-17(26)14-7-10-20-22-14/h7,10-11,13,16H,1-6,8-9,12H2,(H,20,22)(H,21,26)
InChIKeyUUVJZAHKNUGFCH-UHFFFAOYSA-N
XLogP2.24
TPSA100.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide (CID 123742236) is N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide is C=NCC1(n2cc(C(NC(=O)c3ccn[nH]3)C3CCCCC3)nn2)CC1.
What is the InChIKey of N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UUVJZAHKNUGFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-19-12-18(8-9-18)25-11-15(23-24-25)16(13-5-3-2-4-6-13)21-17(26)14-7-10-20-22-14/h7,10-11,13,16H,1-6,8-9,12H2,(H,20,22)(H,21,26).
What are the key properties of N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 123742236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).