N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

C18H21N5O — CID 70765387

IUPACN-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCNC(=O)CCN(C)c1cc(-c2ccccc2)nc2cc(C)nn12
InChIInChI=1S/C18H21N5O/c1-13-11-16-20-15(14-7-5-4-6-8-14)12-18(23(16)21-13)22(3)10-9-17(24)19-2/h4-8,11-12H,9-10H2,1-3H3,(H,19,24)
InChIKeyOYQINQWKYZROKG-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.28
Rot. Bonds5

About N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (PubChem CID 70765387) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
PubChem CID70765387
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCNC(=O)CCN(C)c1cc(-c2ccccc2)nc2cc(C)nn12
InChIInChI=1S/C18H21N5O/c1-13-11-16-20-15(14-7-5-4-6-8-14)12-18(23(16)21-13)22(3)10-9-17(24)19-2/h4-8,11-12H,9-10H2,1-3H3,(H,19,24)
InChIKeyOYQINQWKYZROKG-UHFFFAOYSA-N
XLogP2.28
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56881517
ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
CID 143251437
(1R)-3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-phenylpropan-1-ol
CID 95897748
N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine
CID 45489720
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
2,7-dimethyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 131942924
N-[2-(dimethylamino)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716905
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
CID 106917443
7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092780
N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103631
5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916311

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The IUPAC name of N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (CID 70765387) is N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The canonical SMILES for N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is CNC(=O)CCN(C)c1cc(-c2ccccc2)nc2cc(C)nn12.
What is the InChIKey of N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The InChIKey is OYQINQWKYZROKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-11-16-20-15(14-7-5-4-6-8-14)12-18(23(16)21-13)22(3)10-9-17(24)19-2/h4-8,11-12H,9-10H2,1-3H3,(H,19,24).
What are the key properties of N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is sourced from PubChem (CID 70765387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).