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

C19H26N4O2 — CID 55743900

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)n[nH]1
InChIInChI=1S/C19H26N4O2/c1-13(2)9-15-11-17(23-22-15)19(24)21-12-14-7-8-20-18(10-14)25-16-5-3-4-6-16/h7-8,10-11,13,16H,3-6,9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGHHRZSDOMVHUQX-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.25
Rot. Bonds7

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

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55743900) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55743900
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)n[nH]1
InChIInChI=1S/C19H26N4O2/c1-13(2)9-15-11-17(23-22-15)19(24)21-12-14-7-8-20-18(10-14)25-16-5-3-4-6-16/h7-8,10-11,13,16H,3-6,9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGHHRZSDOMVHUQX-UHFFFAOYSA-N
XLogP3.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 55743900) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)n[nH]1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is GHHRZSDOMVHUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)9-15-11-17(23-22-15)19(24)21-12-14-7-8-20-18(10-14)25-16-5-3-4-6-16/h7-8,10-11,13,16H,3-6,9,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55743900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).