4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide

C11H17N5O3 — CID 70324287

IUPAC4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H17N5O3/c12-11(19)15-8-5-13-16-9(8)10(18)14-6-1-3-7(17)4-2-6/h5-7,17H,1-4H2,(H,13,16)(H,14,18)(H3,12,15,19)
InChIKeyWQHQMDBPDDVETE-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.07
Rot. Bonds3

About 4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide

4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 70324287) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID70324287
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H17N5O3/c12-11(19)15-8-5-13-16-9(8)10(18)14-6-1-3-7(17)4-2-6/h5-7,17H,1-4H2,(H,13,16)(H,14,18)(H3,12,15,19)
InChIKeyWQHQMDBPDDVETE-UHFFFAOYSA-N
XLogP-0.07
TPSA133.13 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 70324287) is 4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is NC(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WQHQMDBPDDVETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c12-11(19)15-8-5-13-16-9(8)10(18)14-6-1-3-7(17)4-2-6/h5-7,17H,1-4H2,(H,13,16)(H,14,18)(H3,12,15,19).
What are the key properties of 4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -0.07, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70324287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).