(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C19H31N5O — CID 120995335

IUPAC(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCC(C)(C)n1nc(C(=O)N2CCC(N3CCNCC3)C2)cc1C1CC1
InChIInChI=1S/C19H31N5O/c1-19(2,3)24-17(14-4-5-14)12-16(21-24)18(25)23-9-6-15(13-23)22-10-7-20-8-11-22/h12,14-15,20H,4-11,13H2,1-3H3
InChIKeyWZIDHYOGEZGZCV-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.64
Rot. Bonds3

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

(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120995335) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120995335
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCC(C)(C)n1nc(C(=O)N2CCC(N3CCNCC3)C2)cc1C1CC1
InChIInChI=1S/C19H31N5O/c1-19(2,3)24-17(14-4-5-14)12-16(21-24)18(25)23-9-6-15(13-23)22-10-7-20-8-11-22/h12,14-15,20H,4-11,13H2,1-3H3
InChIKeyWZIDHYOGEZGZCV-UHFFFAOYSA-N
XLogP1.64
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 119400332
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110900068
[1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 55875478
[3-(azepan-1-yl)piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
CID 56783509
(1-tert-butylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997987
tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
CID 53216205
1-tert-butyl-5-cyclopropyl-N-methyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119441384
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096989
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
(1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997672
[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997379
(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996125

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120995335) is (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is CC(C)(C)n1nc(C(=O)N2CCC(N3CCNCC3)C2)cc1C1CC1.
What is the InChIKey of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is WZIDHYOGEZGZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-19(2,3)24-17(14-4-5-14)12-16(21-24)18(25)23-9-6-15(13-23)22-10-7-20-8-11-22/h12,14-15,20H,4-11,13H2,1-3H3.
What are the key properties of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120995335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).