N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide

C23H34N6O2 — CID 125008854

IUPACN-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N(C)C3CCCCC3)C2)cn1
InChIInChI=1S/C23H34N6O2/c1-3-11-29-16-18(13-25-29)22(30)28-12-7-8-17(15-28)21-20(14-24-26-21)23(31)27(2)19-9-5-4-6-10-19/h13-14,16-17,19H,3-12,15H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyUYCXUSXQEJMHDP-KRWDZBQOSA-N
MW426.57 g/mol
LogP3.44
Rot. Bonds6

About N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide

N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 125008854) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID125008854
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC NameN-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N(C)C3CCCCC3)C2)cn1
InChIInChI=1S/C23H34N6O2/c1-3-11-29-16-18(13-25-29)22(30)28-12-7-8-17(15-28)21-20(14-24-26-21)23(31)27(2)19-9-5-4-6-10-19/h13-14,16-17,19H,3-12,15H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyUYCXUSXQEJMHDP-KRWDZBQOSA-N
XLogP3.44
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-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

Related Compounds

N-cyclohexyl-N-methyl-5-[1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 110083035
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124980360
N,N-diethyl-5-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967626
N,N-diethyl-5-[(2S)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967625
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 175652643
N,N-dimethyl-5-[(3S)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124953653
3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 129401379
5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110083029
[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone
CID 128970013
(1-ethylpyrazol-4-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124955870
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
[4-[(dimethylamino)methyl]phenyl]-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124945852

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 125008854) is N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide is CCCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N(C)C3CCCCC3)C2)cn1.
What is the InChIKey of N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is UYCXUSXQEJMHDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-3-11-29-16-18(13-25-29)22(30)28-12-7-8-17(15-28)21-20(14-24-26-21)23(31)27(2)19-9-5-4-6-10-19/h13-14,16-17,19H,3-12,15H2,1-2H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 426.57 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 125008854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).