(1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate

C18H25N3O3 — CID 71974818

IUPAC(1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate
SMILESO=C(Cn1cc(C(=O)OC2(C3CC3)CC2)cn1)NC1CCCCC1
InChIInChI=1S/C18H25N3O3/c22-16(20-15-4-2-1-3-5-15)12-21-11-13(10-19-21)17(23)24-18(8-9-18)14-6-7-14/h10-11,14-15H,1-9,12H2,(H,20,22)
InChIKeyHVFHFECCNIOJGC-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.43
Rot. Bonds6

About (1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate

(1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate (PubChem CID 71974818) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Name(1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate
PubChem CID71974818
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate
SMILESO=C(Cn1cc(C(=O)OC2(C3CC3)CC2)cn1)NC1CCCCC1
InChIInChI=1S/C18H25N3O3/c22-16(20-15-4-2-1-3-5-15)12-21-11-13(10-19-21)17(23)24-18(8-9-18)14-6-7-14/h10-11,14-15H,1-9,12H2,(H,20,22)
InChIKeyHVFHFECCNIOJGC-UHFFFAOYSA-N
XLogP2.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119502724
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119633259
2-[4-[4-(aminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119423613
(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 120537481
N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride
CID 119611274
(3S)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 120514198
2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119348304
1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119443299
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid
CID 120534951

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate?
The IUPAC name of (1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate (CID 71974818) is (1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate.
What is the SMILES notation for (1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate?
The canonical SMILES for (1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate is O=C(Cn1cc(C(=O)OC2(C3CC3)CC2)cn1)NC1CCCCC1.
What is the InChIKey of (1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate?
The InChIKey is HVFHFECCNIOJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-16(20-15-4-2-1-3-5-15)12-21-11-13(10-19-21)17(23)24-18(8-9-18)14-6-7-14/h10-11,14-15H,1-9,12H2,(H,20,22).
What are the key properties of (1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate?
(1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 71974818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).