N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine

C11H15N3S — CID 114988808

IUPACN-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]c1)c1cccs1
InChIInChI=1S/C11H15N3S/c1-2-5-12-11(9-7-13-14-8-9)10-4-3-6-15-10/h3-4,6-8,11-12H,2,5H2,1H3,(H,13,14)
InChIKeyDVXAHPUQRYRPQB-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.56
Rot. Bonds5

About N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine

N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine (PubChem CID 114988808) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine
PubChem CID114988808
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]c1)c1cccs1
InChIInChI=1S/C11H15N3S/c1-2-5-12-11(9-7-13-14-8-9)10-4-3-6-15-10/h3-4,6-8,11-12H,2,5H2,1H3,(H,13,14)
InChIKeyDVXAHPUQRYRPQB-UHFFFAOYSA-N
XLogP2.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486
5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496016
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
CID 63020418
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495891
N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989890
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 105100685
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352

Frequently Asked Questions

What is the IUPAC name of N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine (CID 114988808) is N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cn[nH]c1)c1cccs1.
What is the InChIKey of N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine?
The InChIKey is DVXAHPUQRYRPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-5-12-11(9-7-13-14-8-9)10-4-3-6-15-10/h3-4,6-8,11-12H,2,5H2,1H3,(H,13,14).
What are the key properties of N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine?
N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114988808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).