N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

C18H26N6O — CID 164637945

IUPACN-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESC[C@@H](C1CC1)n1cc(NC(=O)N2CCC(c3ccn(C)n3)CC2)cn1
InChIInChI=1S/C18H26N6O/c1-13(14-3-4-14)24-12-16(11-19-24)20-18(25)23-9-5-15(6-10-23)17-7-8-22(2)21-17/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,20,25)/t13-/m0/s1
InChIKeyIVXUZHKFMGXVJI-ZDUSSCGKSA-N
MW342.45 g/mol
LogP3.00
Rot. Bonds4

About N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 164637945) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID164637945
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESC[C@@H](C1CC1)n1cc(NC(=O)N2CCC(c3ccn(C)n3)CC2)cn1
InChIInChI=1S/C18H26N6O/c1-13(14-3-4-14)24-12-16(11-19-24)20-18(25)23-9-5-15(6-10-23)17-7-8-22(2)21-17/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,20,25)/t13-/m0/s1
InChIKeyIVXUZHKFMGXVJI-ZDUSSCGKSA-N
XLogP3.00
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-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

Related Compounds

1-[(1-Propan-2-ylpyrazol-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71989902
N'-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]urea
CID 72864285
3-[1-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-1H-1,2,3-triazol-4-yl]piperidine
CID 72844951
N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 127688084
1-[2-(3,3-Dimethylpyrrolidin-1-yl)ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 138025189
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138025197
(5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide
CID 164630927
4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide
CID 164630963
(3S,4R)-3-acetamido-4-(2-methylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 164635436
(3S)-3-(cyclopropylmethyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 164639192
(3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 164641003
(3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide
CID 164641706

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (CID 164637945) is N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(c3ccn(C)n3)CC2)cn1.
What is the InChIKey of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is IVXUZHKFMGXVJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(14-3-4-14)24-12-16(11-19-24)20-18(25)23-9-5-15(6-10-23)17-7-8-22(2)21-17/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,20,25)/t13-/m0/s1.
What are the key properties of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 164637945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).