N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide

C18H29N5O3 — CID 157011822

IUPACN-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)C1CCN(C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)CC1
InChIInChI=1S/C18H29N5O3/c1-22(2)13-6-9-23(10-7-13)18(26)12-3-4-16(24)15(11-12)20-17(25)14-5-8-19-21-14/h5,8,12-13,15-16,24H,3-4,6-7,9-11H2,1-2H3,(H,19,21)(H,20,25)/t12-,15+,16+/m0/s1
InChIKeyXQHMVWQSXGXOAS-APHBMKBZSA-N
MW363.46 g/mol
LogP0.22
Rot. Bonds4

About N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide

N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 157011822) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID157011822
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)C1CCN(C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)CC1
InChIInChI=1S/C18H29N5O3/c1-22(2)13-6-9-23(10-7-13)18(26)12-3-4-16(24)15(11-12)20-17(25)14-5-8-19-21-14/h5,8,12-13,15-16,24H,3-4,6-7,9-11H2,1-2H3,(H,19,21)(H,20,25)/t12-,15+,16+/m0/s1
InChIKeyXQHMVWQSXGXOAS-APHBMKBZSA-N
XLogP0.22
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide (CID 157011822) is N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide is CN(C)C1CCN(C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)CC1.
What is the InChIKey of N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XQHMVWQSXGXOAS-APHBMKBZSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-22(2)13-6-9-23(10-7-13)18(26)12-3-4-16(24)15(11-12)20-17(25)14-5-8-19-21-14/h5,8,12-13,15-16,24H,3-4,6-7,9-11H2,1-2H3,(H,19,21)(H,20,25)/t12-,15+,16+/m0/s1.
What are the key properties of N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide?
N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,5S)-5-[4-(dimethylamino)piperidine-1-carbonyl]-2-hydroxycyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 157011822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).