N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide

C14H18N4OS — CID 115575837

IUPACN-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1cn[nH]c1-c1cccs1)C1CC1
InChIInChI=1S/C14H18N4OS/c19-14(10-3-4-10)16-6-5-15-8-11-9-17-18-13(11)12-2-1-7-20-12/h1-2,7,9-10,15H,3-6,8H2,(H,16,19)(H,17,18)
InChIKeyHHGOIYBIHKWLKF-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.75
Rot. Bonds7

About N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115575837) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID115575837
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1cn[nH]c1-c1cccs1)C1CC1
InChIInChI=1S/C14H18N4OS/c19-14(10-3-4-10)16-6-5-15-8-11-9-17-18-13(11)12-2-1-7-20-12/h1-2,7,9-10,15H,3-6,8H2,(H,16,19)(H,17,18)
InChIKeyHHGOIYBIHKWLKF-UHFFFAOYSA-N
XLogP1.75
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]butanamide
CID 60863763
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
3-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115733069
3-methylsulfonyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 54905369
3,3-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 47185945
3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 103699966
3-phenyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233141
(E)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115628993
N-[3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 49462341
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43233175
N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride
CID 86776335
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 38058413

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide (CID 115575837) is N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide is O=C(NCCNCc1cn[nH]c1-c1cccs1)C1CC1.
What is the InChIKey of N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is HHGOIYBIHKWLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c19-14(10-3-4-10)16-6-5-15-8-11-9-17-18-13(11)12-2-1-7-20-12/h1-2,7,9-10,15H,3-6,8H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115575837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).