N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C17H17ClN4O2 — CID 53040842

IUPACN-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)C)n3nccc3n2)cc1Cl
InChIInChI=1S/C17H17ClN4O2/c1-10(2)14-9-13(21-16-6-7-19-22(14)16)17(23)20-11-4-5-15(24-3)12(18)8-11/h4-10H,1-3H3,(H,20,23)
InChIKeyTVNFOVFWRWGJAL-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.77
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040842) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040842
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)C)n3nccc3n2)cc1Cl
InChIInChI=1S/C17H17ClN4O2/c1-10(2)14-9-13(21-16-6-7-19-22(14)16)17(23)20-11-4-5-15(24-3)12(18)8-11/h4-10H,1-3H3,(H,20,23)
InChIKeyTVNFOVFWRWGJAL-UHFFFAOYSA-N
XLogP3.77
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040842) is N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cc(C(C)C)n3nccc3n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is TVNFOVFWRWGJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10(2)14-9-13(21-16-6-7-19-22(14)16)17(23)20-11-4-5-15(24-3)12(18)8-11/h4-10H,1-3H3,(H,20,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).