4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide

C14H22N4O2 — CID 69379650

IUPAC4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H22N4O2/c1-9(2)16-14(20)12-11(8-15-18-12)17-13(19)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeyQFWDSESGELCQDP-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.07
Rot. Bonds4

About 4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide

4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 69379650) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID69379650
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H22N4O2/c1-9(2)16-14(20)12-11(8-15-18-12)17-13(19)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeyQFWDSESGELCQDP-UHFFFAOYSA-N
XLogP2.07
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 69379650) is 4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)NC(=O)c1[nH]ncc1NC(=O)C1CCCCC1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is QFWDSESGELCQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)16-14(20)12-11(8-15-18-12)17-13(19)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,20)(H,17,19).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69379650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).