N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide

C17H28N6O3 — CID 59733343

IUPACN-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)Nc2cn[nH]c2C(=O)NC2CCC(O)CC2)CC1
InChIInChI=1S/C17H28N6O3/c1-23-8-6-12(7-9-23)20-17(26)21-14-10-18-22-15(14)16(25)19-11-2-4-13(24)5-3-11/h10-13,24H,2-9H2,1H3,(H,18,22)(H,19,25)(H2,20,21,26)
InChIKeyFRPNYXDFDCRRSS-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.66
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide

N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide (PubChem CID 59733343) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide
PubChem CID59733343
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC NameN-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)Nc2cn[nH]c2C(=O)NC2CCC(O)CC2)CC1
InChIInChI=1S/C17H28N6O3/c1-23-8-6-12(7-9-23)20-17(26)21-14-10-18-22-15(14)16(25)19-11-2-4-13(24)5-3-11/h10-13,24H,2-9H2,1H3,(H,18,22)(H,19,25)(H2,20,21,26)
InChIKeyFRPNYXDFDCRRSS-UHFFFAOYSA-N
XLogP0.66
TPSA122.38 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide (CID 59733343) is N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide is CN1CCC(NC(=O)Nc2cn[nH]c2C(=O)NC2CCC(O)CC2)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is FRPNYXDFDCRRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-23-8-6-12(7-9-23)20-17(26)21-14-10-18-22-15(14)16(25)19-11-2-4-13(24)5-3-11/h10-13,24H,2-9H2,1H3,(H,18,22)(H,19,25)(H2,20,21,26).
What are the key properties of N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide?
N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 0.66, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-[(1-methylpiperidin-4-yl)carbamoylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).