N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide

C15H23N5O3 — CID 70646198

IUPACN-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide
SMILESC=C(C)CNC(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H23N5O3/c1-9(2)7-16-15(23)19-12-8-17-20-13(12)14(22)18-10-3-5-11(21)6-4-10/h8,10-11,21H,1,3-7H2,2H3,(H,17,20)(H,18,22)(H2,16,19,23)
InChIKeyKBCNXMJQCAUZLH-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.14
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide

N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide (PubChem CID 70646198) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide
PubChem CID70646198
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide
SMILESC=C(C)CNC(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H23N5O3/c1-9(2)7-16-15(23)19-12-8-17-20-13(12)14(22)18-10-3-5-11(21)6-4-10/h8,10-11,21H,1,3-7H2,2H3,(H,17,20)(H,18,22)(H2,16,19,23)
InChIKeyKBCNXMJQCAUZLH-UHFFFAOYSA-N
XLogP1.14
TPSA119.14 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide (CID 70646198) is N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide is C=C(C)CNC(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is KBCNXMJQCAUZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-9(2)7-16-15(23)19-12-8-17-20-13(12)14(22)18-10-3-5-11(21)6-4-10/h8,10-11,21H,1,3-7H2,2H3,(H,17,20)(H,18,22)(H2,16,19,23).
What are the key properties of N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide?
N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-(2-methylprop-2-enylcarbamoylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70646198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).