N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide

C24H29N5O — CID 112801690

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN(Cc2cccnc2)C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C24H29N5O/c1-24(2,3)21-14-22(29(27-21)20-9-5-4-6-10-20)26-23(30)17-28(19-11-12-19)16-18-8-7-13-25-15-18/h4-10,13-15,19H,11-12,16-17H2,1-3H3,(H,26,30)
InChIKeyRAVJDRVILAGBAK-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.17
Rot. Bonds7

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 112801690) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID112801690
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN(Cc2cccnc2)C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C24H29N5O/c1-24(2,3)21-14-22(29(27-21)20-9-5-4-6-10-20)26-23(30)17-28(19-11-12-19)16-18-8-7-13-25-15-18/h4-10,13-15,19H,11-12,16-17H2,1-3H3,(H,26,30)
InChIKeyRAVJDRVILAGBAK-UHFFFAOYSA-N
XLogP4.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740945
2-[benzyl(ethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740988
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-(pyridin-3-ylmethyl)naphthalen-1-yl]urea
CID 58011007
N-benzyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42734696
2-[benzyl(butylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740989
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide
CID 42740944
N-benzyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloropropanamide
CID 3972116
2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 112801638
2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 112801637
2-[benzylcarbamoyl(propyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 1052711
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[dimethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42735336
N-[1-(4-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-phenylacetamide
CID 46087859

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide (CID 112801690) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide is CC(C)(C)c1cc(NC(=O)CN(Cc2cccnc2)C2CC2)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is RAVJDRVILAGBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-24(2,3)21-14-22(29(27-21)20-9-5-4-6-10-20)26-23(30)17-28(19-11-12-19)16-18-8-7-13-25-15-18/h4-10,13-15,19H,11-12,16-17H2,1-3H3,(H,26,30).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 403.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 112801690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).