N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine

C11H15N3S — CID 60761461

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(CNCc2cn[nH]c2C)s1
InChIInChI=1S/C11H15N3S/c1-8-3-4-11(15-8)7-12-5-10-6-13-14-9(10)2/h3-4,6,12H,5,7H2,1-2H3,(H,13,14)
InChIKeyDMVOZWYXGJDWGY-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.38
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 60761461) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
PubChem CID60761461
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(CNCc2cn[nH]c2C)s1
InChIInChI=1S/C11H15N3S/c1-8-3-4-11(15-8)7-12-5-10-6-13-14-9(10)2/h3-4,6,12H,5,7H2,1-2H3,(H,13,14)
InChIKeyDMVOZWYXGJDWGY-UHFFFAOYSA-N
XLogP2.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894868
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 61004647
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine
CID 86808535
1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978892
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79495336
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60664383
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 63226414
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 86776389
1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 103699779
5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015128
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzene-1,2-diol
CID 62054003

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine (CID 60761461) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine is Cc1ccc(CNCc2cn[nH]c2C)s1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is DMVOZWYXGJDWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8-3-4-11(15-8)7-12-5-10-6-13-14-9(10)2/h3-4,6,12H,5,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 221.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 60761461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).