1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide

C21H28N4O2 — CID 55952950

IUPAC1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1C1CC1
InChIInChI=1S/C21H28N4O2/c1-21(2,3)25-19(15-7-8-15)14-18(23-25)20(26)22-16-5-4-6-17(13-16)24-9-11-27-12-10-24/h4-6,13-15H,7-12H2,1-3H3,(H,22,26)
InChIKeyDXSGKBJEIAQGGM-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.60
Rot. Bonds4

About 1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide (PubChem CID 55952950) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide
PubChem CID55952950
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1C1CC1
InChIInChI=1S/C21H28N4O2/c1-21(2,3)25-19(15-7-8-15)14-18(23-25)20(26)22-16-5-4-6-17(13-16)24-9-11-27-12-10-24/h4-6,13-15H,7-12H2,1-3H3,(H,22,26)
InChIKeyDXSGKBJEIAQGGM-UHFFFAOYSA-N
XLogP3.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
1-tert-butyl-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-cyclopropylpyrazole-3-carboxamide
CID 55872575
1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea
CID 99592728
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide
CID 55946932
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676
5-(furan-2-yl)-N-(3-morpholin-4-ylphenyl)-1,2-oxazole-3-carboxamide
CID 110618704
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide (CID 55952950) is 1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide is CC(C)(C)n1nc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1C1CC1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is DXSGKBJEIAQGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-21(2,3)25-19(15-7-8-15)14-18(23-25)20(26)22-16-5-4-6-17(13-16)24-9-11-27-12-10-24/h4-6,13-15H,7-12H2,1-3H3,(H,22,26).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55952950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).