N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide

C19H22N4O2S — CID 98137785

IUPACN-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)C1CCCCC1)c1cc(=O)n2[nH]c(-c3cccs3)cc2n1
InChIInChI=1S/C19H22N4O2S/c1-12(20-19(25)13-6-3-2-4-7-13)14-11-18(24)23-17(21-14)10-15(22-23)16-8-5-9-26-16/h5,8-13,22H,2-4,6-7H2,1H3,(H,20,25)/t12-/m0/s1
InChIKeyKMIIKLRRAIDLBI-LBPRGKRZSA-N
MW370.48 g/mol
LogP3.51
Rot. Bonds4

About N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide

N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide (PubChem CID 98137785) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide
PubChem CID98137785
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)C1CCCCC1)c1cc(=O)n2[nH]c(-c3cccs3)cc2n1
InChIInChI=1S/C19H22N4O2S/c1-12(20-19(25)13-6-3-2-4-7-13)14-11-18(24)23-17(21-14)10-15(22-23)16-8-5-9-26-16/h5,8-13,22H,2-4,6-7H2,1H3,(H,20,25)/t12-/m0/s1
InChIKeyKMIIKLRRAIDLBI-LBPRGKRZSA-N
XLogP3.51
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide (CID 98137785) is N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide is C[C@H](NC(=O)C1CCCCC1)c1cc(=O)n2[nH]c(-c3cccs3)cc2n1.
What is the InChIKey of N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is KMIIKLRRAIDLBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12(20-19(25)13-6-3-2-4-7-13)14-11-18(24)23-17(21-14)10-15(22-23)16-8-5-9-26-16/h5,8-13,22H,2-4,6-7H2,1H3,(H,20,25)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide?
N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 98137785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).