N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H25N7O2 — CID 166165086

IUPACN,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(C(=O)N(C)C)cc4n3)n2)c1
InChIInChI=1S/C23H25N7O2/c1-16-5-4-6-17(13-16)18-7-8-29(25-18)20-15-22(28-9-11-32-12-10-28)30-21(24-20)14-19(26-30)23(31)27(2)3/h4-8,13-15H,9-12H2,1-3H3
InChIKeyTVRXVUFOYWEBIE-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.43
Rot. Bonds4

About N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 166165086) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID166165086
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC NameN,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(C(=O)N(C)C)cc4n3)n2)c1
InChIInChI=1S/C23H25N7O2/c1-16-5-4-6-17(13-16)18-7-8-29(25-18)20-15-22(28-9-11-32-12-10-28)30-21(24-20)14-19(26-30)23(31)27(2)3/h4-8,13-15H,9-12H2,1-3H3
InChIKeyTVRXVUFOYWEBIE-UHFFFAOYSA-N
XLogP2.43
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 166165086) is N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(C(=O)N(C)C)cc4n3)n2)c1.
What is the InChIKey of N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is TVRXVUFOYWEBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-16-5-4-6-17(13-16)18-7-8-29(25-18)20-15-22(28-9-11-32-12-10-28)30-21(24-20)14-19(26-30)23(31)27(2)3/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166165086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).