[3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone

C14H18N4OS — CID 106044803

IUPAC[3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESCc1c(CNc2cc(N)c(C(=O)C3CC3)s2)cnn1C
InChIInChI=1S/C14H18N4OS/c1-8-10(7-17-18(8)2)6-16-12-5-11(15)14(20-12)13(19)9-3-4-9/h5,7,9,16H,3-4,6,15H2,1-2H3
InChIKeyFIILJTZRECKALH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.58
Rot. Bonds5

About [3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 106044803) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID106044803
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESCc1c(CNc2cc(N)c(C(=O)C3CC3)s2)cnn1C
InChIInChI=1S/C14H18N4OS/c1-8-10(7-17-18(8)2)6-16-12-5-11(15)14(20-12)13(19)9-3-4-9/h5,7,9,16H,3-4,6,15H2,1-2H3
InChIKeyFIILJTZRECKALH-UHFFFAOYSA-N
XLogP2.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 106044826
[3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone
CID 103422919
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
methyl 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylsulfanylthiophene-2-carboxylate
CID 106044735
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
CID 114139144
ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507819
5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine
CID 106035477
methyl 2-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate
CID 106039348
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 106035268
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 106044447
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
CID 106035548

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone (CID 106044803) is [3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone is Cc1c(CNc2cc(N)c(C(=O)C3CC3)s2)cnn1C.
What is the InChIKey of [3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is FIILJTZRECKALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-8-10(7-17-18(8)2)6-16-12-5-11(15)14(20-12)13(19)9-3-4-9/h5,7,9,16H,3-4,6,15H2,1-2H3.
What are the key properties of [3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 290.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 106044803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).