N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine

C14H19N3S — CID 74232126

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(CN(Cc2cnn(C)c2)C2CC2)s1
InChIInChI=1S/C14H19N3S/c1-11-3-6-14(18-11)10-17(13-4-5-13)9-12-7-15-16(2)8-12/h3,6-8,13H,4-5,9-10H2,1-2H3
InChIKeyLSBLBFODHCNKFZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.95
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine

N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine (PubChem CID 74232126) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
PubChem CID74232126
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(CN(Cc2cnn(C)c2)C2CC2)s1
InChIInChI=1S/C14H19N3S/c1-11-3-6-14(18-11)10-17(13-4-5-13)9-12-7-15-16(2)8-12/h3,6-8,13H,4-5,9-10H2,1-2H3
InChIKeyLSBLBFODHCNKFZ-UHFFFAOYSA-N
XLogP2.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine 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

5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine
CID 135103518
N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 74244749
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 50952548
N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 56700800
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 77093844
N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 91833865
N-[2-(4-chloropyrazol-1-yl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 91829151
4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
CID 110929708
3-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936306
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 60806152
N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62127404

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine (CID 74232126) is N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine is Cc1ccc(CN(Cc2cnn(C)c2)C2CC2)s1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is LSBLBFODHCNKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-3-6-14(18-11)10-17(13-4-5-13)9-12-7-15-16(2)8-12/h3,6-8,13H,4-5,9-10H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 261.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 74232126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).