N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine

C17H19N5 — CID 133385979

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine
SMILESc1ccc2c(NCc3ccn(C4CCCC4)n3)ncnc2c1
InChIInChI=1S/C17H19N5/c1-2-6-14(5-1)22-10-9-13(21-22)11-18-17-15-7-3-4-8-16(15)19-12-20-17/h3-4,7-10,12,14H,1-2,5-6,11H2,(H,18,19,20)
InChIKeyFAINJWZNWGZTBP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.55
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine (PubChem CID 133385979) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine
PubChem CID133385979
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine
SMILESc1ccc2c(NCc3ccn(C4CCCC4)n3)ncnc2c1
InChIInChI=1S/C17H19N5/c1-2-6-14(5-1)22-10-9-13(21-22)11-18-17-15-7-3-4-8-16(15)19-12-20-17/h3-4,7-10,12,14H,1-2,5-6,11H2,(H,18,19,20)
InChIKeyFAINJWZNWGZTBP-UHFFFAOYSA-N
XLogP3.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine
CID 133386163
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 167855564
N-[(2-aminocyclohexyl)methyl]quinazolin-4-amine
CID 64928662
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-iodoaniline
CID 64800257
2,4,6-tribromo-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 64800838
(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid
CID 67089806
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133386177
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103773135
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline
CID 64799720

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine (CID 133385979) is N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine is c1ccc2c(NCc3ccn(C4CCCC4)n3)ncnc2c1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine?
The InChIKey is FAINJWZNWGZTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-6-14(5-1)22-10-9-13(21-22)11-18-17-15-7-3-4-8-16(15)19-12-20-17/h3-4,7-10,12,14H,1-2,5-6,11H2,(H,18,19,20).
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 133385979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).