N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21N5O — CID 120886612

IUPACN-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)N(CCN)CCc3ccccc3)c2n1
InChIInChI=1S/C18H21N5O/c1-14-7-11-23-17(21-14)16(13-20-23)18(24)22(12-9-19)10-8-15-5-3-2-4-6-15/h2-7,11,13H,8-10,12,19H2,1H3
InChIKeyTXAUTZOEXALJDH-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.68
Rot. Bonds6

About N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 120886612) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID120886612
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)N(CCN)CCc3ccccc3)c2n1
InChIInChI=1S/C18H21N5O/c1-14-7-11-23-17(21-14)16(13-20-23)18(24)22(12-9-19)10-8-15-5-3-2-4-6-15/h2-7,11,13H,8-10,12,19H2,1H3
InChIKeyTXAUTZOEXALJDH-UHFFFAOYSA-N
XLogP1.68
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 120884432
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride
CID 120886647
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884347
5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124873073
N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)-1H-indazole-7-carboxamide;hydrochloride
CID 120885435
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120885313
N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 120886218
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide
CID 120886368
N-(2-aminoethyl)-N-butylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103123033
N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 119659284

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 120886612) is N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)N(CCN)CCc3ccccc3)c2n1.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is TXAUTZOEXALJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-14-7-11-23-17(21-14)16(13-20-23)18(24)22(12-9-19)10-8-15-5-3-2-4-6-15/h2-7,11,13H,8-10,12,19H2,1H3.
What are the key properties of N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 120886612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).