2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16ClN7O2 — CID 154961998

IUPAC2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1[nH]ncc1NC(=O)C1=C2N=CC=CN2NC1N
InChIInChI=1S/C17H16ClN7O2/c1-27-12-4-3-9(18)7-10(12)14-11(8-21-23-14)22-17(26)13-15(19)24-25-6-2-5-20-16(13)25/h2-8,15,24H,19H2,1H3,(H,21,23)(H,22,26)
InChIKeyPYPSCACJHGDKAM-UHFFFAOYSA-N
MW385.82 g/mol
LogP1.59
Rot. Bonds4

About 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154961998) has the molecular formula C17H16ClN7O2 and a molecular weight of 385.82 g/mol. Its IUPAC name is 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154961998
Molecular FormulaC17H16ClN7O2
Molecular Weight385.82 g/mol
Exact Mass385.11
IUPAC Name2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1[nH]ncc1NC(=O)C1=C2N=CC=CN2NC1N
InChIInChI=1S/C17H16ClN7O2/c1-27-12-4-3-9(18)7-10(12)14-11(8-21-23-14)22-17(26)13-15(19)24-25-6-2-5-20-16(13)25/h2-8,15,24H,19H2,1H3,(H,21,23)(H,22,26)
InChIKeyPYPSCACJHGDKAM-UHFFFAOYSA-N
XLogP1.59
TPSA120.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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CID 81319684
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154961998) is 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1-c1[nH]ncc1NC(=O)C1=C2N=CC=CN2NC1N.
What is the InChIKey of 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PYPSCACJHGDKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7O2/c1-27-12-4-3-9(18)7-10(12)14-11(8-21-23-14)22-17(26)13-15(19)24-25-6-2-5-20-16(13)25/h2-8,15,24H,19H2,1H3,(H,21,23)(H,22,26).
What are the key properties of 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 385.82 g/mol, XLogP of 1.59, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154961998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).