N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide

C13H20N4O2 — CID 47342569

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
SMILESO=C(CCNC(=O)c1ccn[nH]1)NC1CCCCC1
InChIInChI=1S/C13H20N4O2/c18-12(16-10-4-2-1-3-5-10)7-8-14-13(19)11-6-9-15-17-11/h6,9-10H,1-5,7-8H2,(H,14,19)(H,15,17)(H,16,18)
InChIKeyCVHIEPYZOYOKDD-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.98
Rot. Bonds5

About N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide

N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide (PubChem CID 47342569) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
PubChem CID47342569
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
SMILESO=C(CCNC(=O)c1ccn[nH]1)NC1CCCCC1
InChIInChI=1S/C13H20N4O2/c18-12(16-10-4-2-1-3-5-10)7-8-14-13(19)11-6-9-15-17-11/h6,9-10H,1-5,7-8H2,(H,14,19)(H,15,17)(H,16,18)
InChIKeyCVHIEPYZOYOKDD-UHFFFAOYSA-N
XLogP0.98
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide (CID 47342569) is N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide is O=C(CCNC(=O)c1ccn[nH]1)NC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CVHIEPYZOYOKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-12(16-10-4-2-1-3-5-10)7-8-14-13(19)11-6-9-15-17-11/h6,9-10H,1-5,7-8H2,(H,14,19)(H,15,17)(H,16,18).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47342569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).