N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C30H28N4O2 — CID 58628603

IUPACN-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccn2ncc(-c3ccc(OCc4ccccc4)cc3)c2n1
InChIInChI=1S/C30H28N4O2/c1-30(2,3)25-11-7-8-12-26(25)33-29(35)27-17-18-34-28(32-27)24(19-31-34)22-13-15-23(16-14-22)36-20-21-9-5-4-6-10-21/h4-19H,20H2,1-3H3,(H,33,35)
InChIKeyCLDRPTJHANTFCF-UHFFFAOYSA-N
MW476.58 g/mol
LogP6.53
Rot. Bonds6

About N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628603) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628603
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC NameN-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccn2ncc(-c3ccc(OCc4ccccc4)cc3)c2n1
InChIInChI=1S/C30H28N4O2/c1-30(2,3)25-11-7-8-12-26(25)33-29(35)27-17-18-34-28(32-27)24(19-31-34)22-13-15-23(16-14-22)36-20-21-9-5-4-6-10-21/h4-19H,20H2,1-3H3,(H,33,35)
InChIKeyCLDRPTJHANTFCF-UHFFFAOYSA-N
XLogP6.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 58628687
2-(methylamino)-3-phenylpropanoic acid;3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbaldehyde
CID 142822777
3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628888
N-(2-tert-butylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310973
3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628665
3-[4-(benzylamino)phenyl]-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628526
N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109316365
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
N-hydroxy-6-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 87562744
4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3304613
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
N-(2-tert-butylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349091

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628603) is N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1ccn2ncc(-c3ccc(OCc4ccccc4)cc3)c2n1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is CLDRPTJHANTFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-30(2,3)25-11-7-8-12-26(25)33-29(35)27-17-18-34-28(32-27)24(19-31-34)22-13-15-23(16-14-22)36-20-21-9-5-4-6-10-21/h4-19H,20H2,1-3H3,(H,33,35).
What are the key properties of N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).