N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine

C15H21N3 — CID 153390054

IUPACN-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine
SMILESCCCCc1ccc(Nc2cn[nH]c2CC)cc1
InChIInChI=1S/C15H21N3/c1-3-5-6-12-7-9-13(10-8-12)17-15-11-16-18-14(15)4-2/h7-11,17H,3-6H2,1-2H3,(H,16,18)
InChIKeyJKSAYEVNAMBRSN-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.06
Rot. Bonds6

About N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine

N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine (PubChem CID 153390054) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine
PubChem CID153390054
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine
SMILESCCCCc1ccc(Nc2cn[nH]c2CC)cc1
InChIInChI=1S/C15H21N3/c1-3-5-6-12-7-9-13(10-8-12)17-15-11-16-18-14(15)4-2/h7-11,17H,3-6H2,1-2H3,(H,16,18)
InChIKeyJKSAYEVNAMBRSN-UHFFFAOYSA-N
XLogP4.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one
CID 8850852
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CID 69347655
2-N-(4-butylphenyl)-4-fluorobenzene-1,2-diamine
CID 63403132
4-butyl-N-(4-tert-butylphenyl)aniline
CID 70153981
3-(4-butylanilino)-4H-1,2,4-triazin-5-one
CID 135445446
5-butyl-4-ethyl-1H-pyrazole
CID 147341447
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
N-(4-butylphenyl)-5-nitropyrimidin-2-amine
CID 133466896
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
2-[(3,4-dimethoxyphenyl)methyl]-4-[(5-pentyl-1H-pyrazol-4-yl)amino]benzenesulfonamide
CID 175217579
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine?
The IUPAC name of N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine (CID 153390054) is N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine is CCCCc1ccc(Nc2cn[nH]c2CC)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine?
The InChIKey is JKSAYEVNAMBRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-5-6-12-7-9-13(10-8-12)17-15-11-16-18-14(15)4-2/h7-11,17H,3-6H2,1-2H3,(H,16,18).
What are the key properties of N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine?
N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 153390054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).