N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine

C15H17N5 — CID 115372842

IUPACN-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCN(Cc1cccc(N)c1)c1ccn2nccc2n1
InChIInChI=1S/C15H17N5/c1-2-19(11-12-4-3-5-13(16)10-12)14-7-9-20-15(18-14)6-8-17-20/h3-10H,2,11,16H2,1H3
InChIKeyDQARKROLVUGHFH-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.34
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine

N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372842) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372842
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCN(Cc1cccc(N)c1)c1ccn2nccc2n1
InChIInChI=1S/C15H17N5/c1-2-19(11-12-4-3-5-13(16)10-12)14-7-9-20-15(18-14)6-8-17-20/h3-10H,2,11,16H2,1H3
InChIKeyDQARKROLVUGHFH-UHFFFAOYSA-N
XLogP2.34
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 115373260
4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828920
N-[(3-aminophenyl)methyl]-6-ethoxy-N-ethylpyridin-2-amine
CID 63591322
N'-ethyl-2-methyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372171
N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372174
2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
CID 60875501
4-[(3-aminophenyl)methyl-ethylamino]-1H-pyrimidin-6-one
CID 136979201
2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552824
N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine
CID 66320787
N-methyl-N'-propyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 115373053
N-[(3-aminophenyl)methyl]-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65276181
3-[(4-chloro-N-ethylanilino)methyl]aniline
CID 143248612

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine (CID 115372842) is N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine is CCN(Cc1cccc(N)c1)c1ccn2nccc2n1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is DQARKROLVUGHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-19(11-12-4-3-5-13(16)10-12)14-7-9-20-15(18-14)6-8-17-20/h3-10H,2,11,16H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine?
N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 267.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).