1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide

C10H16N4OS — CID 79654187

IUPAC1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide
SMILESCn1cc(SC2CCC(N)(C(N)=O)C2)cn1
InChIInChI=1S/C10H16N4OS/c1-14-6-8(5-13-14)16-7-2-3-10(12,4-7)9(11)15/h5-7H,2-4,12H2,1H3,(H2,11,15)
InChIKeyDPNGVIWIKJWGRB-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.25
Rot. Bonds3

About 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide

1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide (PubChem CID 79654187) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide
PubChem CID79654187
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide
SMILESCn1cc(SC2CCC(N)(C(N)=O)C2)cn1
InChIInChI=1S/C10H16N4OS/c1-14-6-8(5-13-14)16-7-2-3-10(12,4-7)9(11)15/h5-7H,2-4,12H2,1H3,(H2,11,15)
InChIKeyDPNGVIWIKJWGRB-UHFFFAOYSA-N
XLogP0.25
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
CID 79634834
1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide
CID 79653394
3-(1-methylpyrazol-4-yl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79653952
1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide
CID 79656985
1-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxylic acid
CID 79634039
3-(1-methylpyrazol-4-yl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79649828
1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635792
1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide
CID 79653434
1-amino-3-(4-methylphenyl)sulfanylcyclopentane-1-carboxylic acid
CID 79654079
1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 106925119
1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 113298762
N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
CID 64723897

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide (CID 79654187) is 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide is Cn1cc(SC2CCC(N)(C(N)=O)C2)cn1.
What is the InChIKey of 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide?
The InChIKey is DPNGVIWIKJWGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-14-6-8(5-13-14)16-7-2-3-10(12,4-7)9(11)15/h5-7H,2-4,12H2,1H3,(H2,11,15).
What are the key properties of 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide?
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 79654187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).