N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C19H20N4O2S — CID 55743899

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccnc(OC2CCCC2)c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H20N4O2S/c24-19(16-11-15(22-23-16)17-6-3-9-26-17)21-12-13-7-8-20-18(10-13)25-14-4-1-2-5-14/h3,6-11,14H,1-2,4-5,12H2,(H,21,24)(H,22,23)
InChIKeyPSQXWTABTMFUHD-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.78
Rot. Bonds6

About N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55743899) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55743899
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccnc(OC2CCCC2)c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H20N4O2S/c24-19(16-11-15(22-23-16)17-6-3-9-26-17)21-12-13-7-8-20-18(10-13)25-14-4-1-2-5-14/h3,6-11,14H,1-2,4-5,12H2,(H,21,24)(H,22,23)
InChIKeyPSQXWTABTMFUHD-UHFFFAOYSA-N
XLogP3.78
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55743899) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NCc1ccnc(OC2CCCC2)c1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is PSQXWTABTMFUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-19(16-11-15(22-23-16)17-6-3-9-26-17)21-12-13-7-8-20-18(10-13)25-14-4-1-2-5-14/h3,6-11,14H,1-2,4-5,12H2,(H,21,24)(H,22,23).
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55743899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).