N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine

C14H18ClN3 — CID 62903529

IUPACN-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCC(Nc1cnn(C(C)C)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-10(2)18-9-14(8-16-18)17-11(3)12-5-4-6-13(15)7-12/h4-11,17H,1-3H3
InChIKeyQPWFXVMXTFJBGR-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.29
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine

N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 62903529) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID62903529
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCC(Nc1cnn(C(C)C)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-10(2)18-9-14(8-16-18)17-11(3)12-5-4-6-13(15)7-12/h4-11,17H,1-3H3
InChIKeyQPWFXVMXTFJBGR-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904585
N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62902276
N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine
CID 43539939
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine
CID 114052686
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106566702
N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730907
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine (CID 62903529) is N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine is CC(Nc1cnn(C(C)C)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is QPWFXVMXTFJBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10(2)18-9-14(8-16-18)17-11(3)12-5-4-6-13(15)7-12/h4-11,17H,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 263.77 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62903529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).