N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine

C16H14ClN7 — CID 146129006

IUPACN-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine
SMILESClc1ccc(C(CNc2ncnc3nc[nH]c23)n2cccn2)cc1
InChIInChI=1S/C16H14ClN7/c17-12-4-2-11(3-5-12)13(24-7-1-6-23-24)8-18-15-14-16(20-9-19-14)22-10-21-15/h1-7,9-10,13H,8H2,(H2,18,19,20,21,22)
InChIKeyDYPGLKFAHKIJDB-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine

N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine (PubChem CID 146129006) has the molecular formula C16H14ClN7 and a molecular weight of 339.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine
PubChem CID146129006
Molecular FormulaC16H14ClN7
Molecular Weight339.79 g/mol
Exact Mass339.10
IUPAC NameN-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine
SMILESClc1ccc(C(CNc2ncnc3nc[nH]c23)n2cccn2)cc1
InChIInChI=1S/C16H14ClN7/c17-12-4-2-11(3-5-12)13(24-7-1-6-23-24)8-18-15-14-16(20-9-19-14)22-10-21-15/h1-7,9-10,13H,8H2,(H2,18,19,20,21,22)
InChIKeyDYPGLKFAHKIJDB-UHFFFAOYSA-N
XLogP2.90
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
CID 94145816
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
CID 66109410
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 133474798
(7H-purin-6-ylamino)methanol
CID 86209273
N-(1-methylpyrazol-3-yl)-7H-purin-6-amine
CID 79778598
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
5-chloro-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69243386
N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine
CID 133301517

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine (CID 146129006) is N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine is Clc1ccc(C(CNc2ncnc3nc[nH]c23)n2cccn2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine?
The InChIKey is DYPGLKFAHKIJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN7/c17-12-4-2-11(3-5-12)13(24-7-1-6-23-24)8-18-15-14-16(20-9-19-14)22-10-21-15/h1-7,9-10,13H,8H2,(H2,18,19,20,21,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine?
N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine has a molecular weight of 339.79 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-7H-purin-6-amine is sourced from PubChem (CID 146129006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).