4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine

C14H19N3 — CID 117331143

IUPAC4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine
SMILESCCC(CC)c1cccc(-c2cn[nH]c2N)c1
InChIInChI=1S/C14H19N3/c1-3-10(4-2)11-6-5-7-12(8-11)13-9-16-17-14(13)15/h5-10H,3-4H2,1-2H3,(H3,15,16,17)
InChIKeyKACCHHDHNALPBQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.56
Rot. Bonds4

About 4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine

4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine (PubChem CID 117331143) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine
PubChem CID117331143
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine
SMILESCCC(CC)c1cccc(-c2cn[nH]c2N)c1
InChIInChI=1S/C14H19N3/c1-3-10(4-2)11-6-5-7-12(8-11)13-9-16-17-14(13)15/h5-10H,3-4H2,1-2H3,(H3,15,16,17)
InChIKeyKACCHHDHNALPBQ-UHFFFAOYSA-N
XLogP3.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine
CID 117293410
4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine
CID 117346326
4-[3-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-5-amine
CID 117354767
N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 117419923
4-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117444749
5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117332870
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine
CID 117330777
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117328775
4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine
CID 22408196
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115

Frequently Asked Questions

What is the IUPAC name of 4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine (CID 117331143) is 4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine is CCC(CC)c1cccc(-c2cn[nH]c2N)c1.
What is the InChIKey of 4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine?
The InChIKey is KACCHHDHNALPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-10(4-2)11-6-5-7-12(8-11)13-9-16-17-14(13)15/h5-10H,3-4H2,1-2H3,(H3,15,16,17).
What are the key properties of 4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine?
4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117331143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).