3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine

C18H27N3 — CID 43497373

IUPAC3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H27N3/c1-5-11-19-17(12-18(2,3)4)15-13-20-21(14-15)16-9-7-6-8-10-16/h6-10,13-14,17,19H,5,11-12H2,1-4H3
InChIKeyMZDRPDNPWFZHEV-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.35
Rot. Bonds6

About 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine

3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine (PubChem CID 43497373) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine
PubChem CID43497373
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H27N3/c1-5-11-19-17(12-18(2,3)4)15-13-20-21(14-15)16-9-7-6-8-10-16/h6-10,13-14,17,19H,5,11-12H2,1-4H3
InChIKeyMZDRPDNPWFZHEV-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497367
1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine
CID 105112397
3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63889821
N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105165630
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
[3-methyl-1-(1-phenylpyrazol-4-yl)hexyl]hydrazine
CID 105298119
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 105190222
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429
N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine (CID 43497373) is 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine is CCCNC(CC(C)(C)C)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine?
The InChIKey is MZDRPDNPWFZHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-11-19-17(12-18(2,3)4)15-13-20-21(14-15)16-9-7-6-8-10-16/h6-10,13-14,17,19H,5,11-12H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine?
3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 43497373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).