N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine

C15H18ClN3 — CID 97086094

IUPACN-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine
SMILESC[C@H](C1CC1)n1nccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3/c1-11(13-4-5-13)19-15(8-9-18-19)17-10-12-2-6-14(16)7-3-12/h2-3,6-9,11,13,17H,4-5,10H2,1H3/t11-/m1/s1
InChIKeyJZIQWSAWIAQNSW-LLVKDONJSA-N
MW275.78 g/mol
LogP4.12
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine

N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine (PubChem CID 97086094) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine
PubChem CID97086094
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine
SMILESC[C@H](C1CC1)n1nccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3/c1-11(13-4-5-13)19-15(8-9-18-19)17-10-12-2-6-14(16)7-3-12/h2-3,6-9,11,13,17H,4-5,10H2,1H3/t11-/m1/s1
InChIKeyJZIQWSAWIAQNSW-LLVKDONJSA-N
XLogP4.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine (CID 97086094) is N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine is C[C@H](C1CC1)n1nccc1NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine?
The InChIKey is JZIQWSAWIAQNSW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(13-4-5-13)19-15(8-9-18-19)17-10-12-2-6-14(16)7-3-12/h2-3,6-9,11,13,17H,4-5,10H2,1H3/t11-/m1/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine?
N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine has a molecular weight of 275.78 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine is sourced from PubChem (CID 97086094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).