N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine

C11H12ClN3 — CID 43539939

IUPACN-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine
SMILESCC(Nc1cn[nH]c1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-8(15-11-6-13-14-7-11)9-3-2-4-10(12)5-9/h2-8,15H,1H3,(H,13,14)
InChIKeyKYOOCWDLGRMGLP-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.24
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine

N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine (PubChem CID 43539939) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine
PubChem CID43539939
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine
SMILESCC(Nc1cn[nH]c1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-8(15-11-6-13-14-7-11)9-3-2-4-10(12)5-9/h2-8,15H,1H3,(H,13,14)
InChIKeyKYOOCWDLGRMGLP-UHFFFAOYSA-N
XLogP3.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
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CID 43101592
N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62903529
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine
CID 114052686
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzonitrile
CID 43540037
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1H-imidazol-2-amine
CID 106566722
3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 40545594
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine (CID 43539939) is N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine is CC(Nc1cn[nH]c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine?
The InChIKey is KYOOCWDLGRMGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8(15-11-6-13-14-7-11)9-3-2-4-10(12)5-9/h2-8,15H,1H3,(H,13,14).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine?
N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine has a molecular weight of 221.69 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43539939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).