N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C18H27N7O — CID 91763936

IUPACN-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN(C)Cc3cc(C4CC4)n[nH]3)n2C)C1
InChIInChI=1S/C18H27N7O/c1-11(26)19-14-6-13(7-14)18-23-22-17(25(18)3)10-24(2)9-15-8-16(21-20-15)12-4-5-12/h8,12-14H,4-7,9-10H2,1-3H3,(H,19,26)(H,20,21)
InChIKeyFKUSZKVASXYIJA-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.43
Rot. Bonds7

About N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91763936) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91763936
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN(C)Cc3cc(C4CC4)n[nH]3)n2C)C1
InChIInChI=1S/C18H27N7O/c1-11(26)19-14-6-13(7-14)18-23-22-17(25(18)3)10-24(2)9-15-8-16(21-20-15)12-4-5-12/h8,12-14H,4-7,9-10H2,1-3H3,(H,19,26)(H,20,21)
InChIKeyFKUSZKVASXYIJA-UHFFFAOYSA-N
XLogP1.43
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91785789
N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide
CID 135118861
3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91777665
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91792882
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide
CID 91776521
3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91798054
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 91777461
N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91771292
2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91798143
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 154887169
(2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide
CID 91786393
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide;hydrochloride
CID 154903589

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91763936) is N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CC(=O)NC1CC(c2nnc(CN(C)Cc3cc(C4CC4)n[nH]3)n2C)C1.
What is the InChIKey of N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is FKUSZKVASXYIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-11(26)19-14-6-13(7-14)18-23-22-17(25(18)3)10-24(2)9-15-8-16(21-20-15)12-4-5-12/h8,12-14H,4-7,9-10H2,1-3H3,(H,19,26)(H,20,21).
What are the key properties of N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 357.46 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91763936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).