N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide

C18H23N5O2 — CID 95776471

IUPACN-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)c3ccn[nH]3)cc2)C1
InChIInChI=1S/C18H23N5O2/c1-22-11-3-4-15(12-22)23(2)18(25)13-5-7-14(8-6-13)20-17(24)16-9-10-19-21-16/h5-10,15H,3-4,11-12H2,1-2H3,(H,19,21)(H,20,24)/t15-/m0/s1
InChIKeyIEZKDMCPHKTFBU-HNNXBMFYSA-N
MW341.42 g/mol
LogP1.83
Rot. Bonds4

About N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide

N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 95776471) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID95776471
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)c3ccn[nH]3)cc2)C1
InChIInChI=1S/C18H23N5O2/c1-22-11-3-4-15(12-22)23(2)18(25)13-5-7-14(8-6-13)20-17(24)16-9-10-19-21-16/h5-10,15H,3-4,11-12H2,1-2H3,(H,19,21)(H,20,24)/t15-/m0/s1
InChIKeyIEZKDMCPHKTFBU-HNNXBMFYSA-N
XLogP1.83
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 166206428
2-amino-N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]benzamide;dihydrochloride
CID 119947295
4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 146086120
4-[[(2R)-2-aminopropanoyl]amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890915
4-[(1-aminocyclopropanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890887
4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 119890910
4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890933
4-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 166417842
4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 103873474
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358
4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546980
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide (CID 95776471) is N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide is CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)c3ccn[nH]3)cc2)C1.
What is the InChIKey of N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is IEZKDMCPHKTFBU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-11-3-4-15(12-22)23(2)18(25)13-5-7-14(8-6-13)20-17(24)16-9-10-19-21-16/h5-10,15H,3-4,11-12H2,1-2H3,(H,19,21)(H,20,24)/t15-/m0/s1.
What are the key properties of N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 95776471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).