N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C17H24N6O — CID 51084478

IUPACN-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(Cn1cccn1)NC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H24N6O/c1-15(13-23-7-3-6-19-23)20-17(24)22-10-8-21(9-11-22)14-16-4-2-5-18-12-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,20,24)
InChIKeyNXKUCCKZHHNTLW-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.19
Rot. Bonds5

About N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 51084478) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID51084478
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(Cn1cccn1)NC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H24N6O/c1-15(13-23-7-3-6-19-23)20-17(24)22-10-8-21(9-11-22)14-16-4-2-5-18-12-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,20,24)
InChIKeyNXKUCCKZHHNTLW-UHFFFAOYSA-N
XLogP1.19
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-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-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 51084478) is N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is CC(Cn1cccn1)NC(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is NXKUCCKZHHNTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-15(13-23-7-3-6-19-23)20-17(24)22-10-8-21(9-11-22)14-16-4-2-5-18-12-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,20,24).
What are the key properties of N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51084478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).