4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide

C16H27N5O3 — CID 59733523

IUPAC4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)CNC(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H27N5O3/c1-16(2,3)9-17-15(24)20-12-8-18-21-13(12)14(23)19-10-4-6-11(22)7-5-10/h8,10-11,22H,4-7,9H2,1-3H3,(H,18,21)(H,19,23)(H2,17,20,24)
InChIKeyOEZRAOIFLPTBRW-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.61
Rot. Bonds4

About 4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide

4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 59733523) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID59733523
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)CNC(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H27N5O3/c1-16(2,3)9-17-15(24)20-12-8-18-21-13(12)14(23)19-10-4-6-11(22)7-5-10/h8,10-11,22H,4-7,9H2,1-3H3,(H,18,21)(H,19,23)(H2,17,20,24)
InChIKeyOEZRAOIFLPTBRW-UHFFFAOYSA-N
XLogP1.61
TPSA119.14 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 59733523) is 4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is CC(C)(C)CNC(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OEZRAOIFLPTBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-16(2,3)9-17-15(24)20-12-8-18-21-13(12)14(23)19-10-4-6-11(22)7-5-10/h8,10-11,22H,4-7,9H2,1-3H3,(H,18,21)(H,19,23)(H2,17,20,24).
What are the key properties of 4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylcarbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).