4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide

C14H20N4OS — CID 62080802

IUPAC4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(Cc2cccs2)C(C)C)c1N
InChIInChI=1S/C14H20N4OS/c1-4-11-12(15)13(17-16-11)14(19)18(9(2)3)8-10-6-5-7-20-10/h5-7,9H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyCIDLRFOOCNBBFZ-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.67
Rot. Bonds5

About 4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62080802) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID62080802
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(Cc2cccs2)C(C)C)c1N
InChIInChI=1S/C14H20N4OS/c1-4-11-12(15)13(17-16-11)14(19)18(9(2)3)8-10-6-5-7-20-10/h5-7,9H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyCIDLRFOOCNBBFZ-UHFFFAOYSA-N
XLogP2.67
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62077582
N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 61394676
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104742073
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55115786
3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61450256
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61449973
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 65228797
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 62080802) is 4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(Cc2cccs2)C(C)C)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CIDLRFOOCNBBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-11-12(15)13(17-16-11)14(19)18(9(2)3)8-10-6-5-7-20-10/h5-7,9H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).