(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone

C15H24N4O — CID 119400332

IUPAC(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)n1nc(C(=O)N2CCNCC2)cc1C1CC1
InChIInChI=1S/C15H24N4O/c1-15(2,3)19-13(11-4-5-11)10-12(17-19)14(20)18-8-6-16-7-9-18/h10-11,16H,4-9H2,1-3H3
InChIKeyBCNLTCSDNWNHQZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.56
Rot. Bonds2

About (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone

(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone (PubChem CID 119400332) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
PubChem CID119400332
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)n1nc(C(=O)N2CCNCC2)cc1C1CC1
InChIInChI=1S/C15H24N4O/c1-15(2,3)19-13(11-4-5-11)10-12(17-19)14(20)18-8-6-16-7-9-18/h10-11,16H,4-9H2,1-3H3
InChIKeyBCNLTCSDNWNHQZ-UHFFFAOYSA-N
XLogP1.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995335
[1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 55875478
1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119252037
(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 129414668
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110900068
1-tert-butyl-5-cyclopropyl-N-methyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119441384
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone;hydrochloride
CID 120807392
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 55767641
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096989
2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124682575
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 55766684
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone (CID 119400332) is (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone is CC(C)(C)n1nc(C(=O)N2CCNCC2)cc1C1CC1.
What is the InChIKey of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is BCNLTCSDNWNHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,3)19-13(11-4-5-11)10-12(17-19)14(20)18-8-6-16-7-9-18/h10-11,16H,4-9H2,1-3H3.
What are the key properties of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone?
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 276.38 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 119400332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).