1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine

C11H15N3S — CID 62902813

IUPAC1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCC(C)n1cc(NCc2ccsc2)cn1
InChIInChI=1S/C11H15N3S/c1-9(2)14-7-11(6-13-14)12-5-10-3-4-15-8-10/h3-4,6-9,12H,5H2,1-2H3
InChIKeyQLAPVPIDXGYAGV-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.14
Rot. Bonds4

About 1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine

1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 62902813) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID62902813
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCC(C)n1cc(NCc2ccsc2)cn1
InChIInChI=1S/C11H15N3S/c1-9(2)14-7-11(6-13-14)12-5-10-3-4-15-8-10/h3-4,6-9,12H,5H2,1-2H3
InChIKeyQLAPVPIDXGYAGV-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
CID 62904044
N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115881219
N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904039
N-[(3-chloro-4-fluorophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 81145371
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 95291194
5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
CID 79840154
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115749351
N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine
CID 62903175
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902826
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902650
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 62902813) is 1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is CC(C)n1cc(NCc2ccsc2)cn1.
What is the InChIKey of 1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is QLAPVPIDXGYAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-9(2)14-7-11(6-13-14)12-5-10-3-4-15-8-10/h3-4,6-9,12H,5H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine has a molecular weight of 221.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 62902813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).