N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H26N6O — CID 67915903

IUPACN,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc(-c2ccnc3c(C(=O)N(CN(C)C)CN(C)C)cnn23)c1
InChIInChI=1S/C20H26N6O/c1-15-7-6-8-16(11-15)18-9-10-21-19-17(12-22-26(18)19)20(27)25(13-23(2)3)14-24(4)5/h6-12H,13-14H2,1-5H3
InChIKeyNLMMFRYVQGYAEL-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.19
Rot. Bonds6

About N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67915903) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67915903
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc(-c2ccnc3c(C(=O)N(CN(C)C)CN(C)C)cnn23)c1
InChIInChI=1S/C20H26N6O/c1-15-7-6-8-16(11-15)18-9-10-21-19-17(12-22-26(18)19)20(27)25(13-23(2)3)14-24(4)5/h6-12H,13-14H2,1-5H3
InChIKeyNLMMFRYVQGYAEL-UHFFFAOYSA-N
XLogP2.19
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67915903) is N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cccc(-c2ccnc3c(C(=O)N(CN(C)C)CN(C)C)cnn23)c1.
What is the InChIKey of N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NLMMFRYVQGYAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-15-7-6-8-16(11-15)18-9-10-21-19-17(12-22-26(18)19)20(27)25(13-23(2)3)14-24(4)5/h6-12H,13-14H2,1-5H3.
What are the key properties of N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67915903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).