1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine

C16H25N3S — CID 105113681

IUPAC1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
SMILESCCCNC(CCCc1cccs1)Cc1cnn(C)c1
InChIInChI=1S/C16H25N3S/c1-3-9-17-15(11-14-12-18-19(2)13-14)6-4-7-16-8-5-10-20-16/h5,8,10,12-13,15,17H,3-4,6-7,9,11H2,1-2H3
InChIKeyPISARYIMBZIOPG-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.42
Rot. Bonds9

About 1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine

1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine (PubChem CID 105113681) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
PubChem CID105113681
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
SMILESCCCNC(CCCc1cccs1)Cc1cnn(C)c1
InChIInChI=1S/C16H25N3S/c1-3-9-17-15(11-14-12-18-19(2)13-14)6-4-7-16-8-5-10-20-16/h5,8,10,12-13,15,17H,3-4,6-7,9,11H2,1-2H3
InChIKeyPISARYIMBZIOPG-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103778177
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
CID 114211898
6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine
CID 105137843
N-propyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105107893
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 62128223
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine (CID 105113681) is 1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine is CCCNC(CCCc1cccs1)Cc1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
The InChIKey is PISARYIMBZIOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-3-9-17-15(11-14-12-18-19(2)13-14)6-4-7-16-8-5-10-20-16/h5,8,10,12-13,15,17H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105113681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).