N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C19H29N7O — CID 154756122

IUPACN-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCn1c(CC2CC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C19H29N7O/c1-3-26-17(10-14-4-5-14)22-23-19(26)25-8-6-15(7-9-25)11-20-18(27)16-12-21-24(2)13-16/h12-15H,3-11H2,1-2H3,(H,20,27)
InChIKeyRVOXQRKRKUHMOQ-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.63
Rot. Bonds7

About N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 154756122) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID154756122
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC NameN-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCn1c(CC2CC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C19H29N7O/c1-3-26-17(10-14-4-5-14)22-23-19(26)25-8-6-15(7-9-25)11-20-18(27)16-12-21-24(2)13-16/h12-15H,3-11H2,1-2H3,(H,20,27)
InChIKeyRVOXQRKRKUHMOQ-UHFFFAOYSA-N
XLogP1.63
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-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-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 154756122) is N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is CCn1c(CC2CC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is RVOXQRKRKUHMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-3-26-17(10-14-4-5-14)22-23-19(26)25-8-6-15(7-9-25)11-20-18(27)16-12-21-24(2)13-16/h12-15H,3-11H2,1-2H3,(H,20,27).
What are the key properties of N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154756122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).