1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide

C20H26N4O2 — CID 46486951

IUPAC1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cnn1C(C)(C)C
InChIInChI=1S/C20H26N4O2/c1-14-17(13-21-24(14)20(2,3)4)18(25)22-16-9-7-15(8-10-16)19(26)23-11-5-6-12-23/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,25)
InChIKeyRQNHPIGXYDQLLC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.43
Rot. Bonds3

About 1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide

1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide (PubChem CID 46486951) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
PubChem CID46486951
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cnn1C(C)(C)C
InChIInChI=1S/C20H26N4O2/c1-14-17(13-21-24(14)20(2,3)4)18(25)22-16-9-7-15(8-10-16)19(26)23-11-5-6-12-23/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,25)
InChIKeyRQNHPIGXYDQLLC-UHFFFAOYSA-N
XLogP3.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327470
1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
CID 169248379
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
2-methyl-2-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 62845824
5-ethyl-1-pyridin-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55604055
3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911430
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide (CID 46486951) is 1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is RQNHPIGXYDQLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-17(13-21-24(14)20(2,3)4)18(25)22-16-9-7-15(8-10-16)19(26)23-11-5-6-12-23/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,25).
What are the key properties of 1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46486951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).