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

C21H26N6O2 — CID 78880392

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)[nH]n1
InChIInChI=1S/C21H26N6O2/c1-13-20(14(2)27(3)26-13)17-11-18(25-24-17)21(28)23-12-15-8-9-22-19(10-15)29-16-6-4-5-7-16/h8-11,16H,4-7,12H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyRGGHUQOVANPNIS-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.07
Rot. Bonds6

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

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78880392) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78880392
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)[nH]n1
InChIInChI=1S/C21H26N6O2/c1-13-20(14(2)27(3)26-13)17-11-18(25-24-17)21(28)23-12-15-8-9-22-19(10-15)29-16-6-4-5-7-16/h8-11,16H,4-7,12H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyRGGHUQOVANPNIS-UHFFFAOYSA-N
XLogP3.07
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

US10022354, Example 7
CID 121279570
US10022354, Example 70
CID 121279678
3-(5-Methyl-2-furyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872294
3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
4-(4-Isopropoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-1-isopropyl-N-(oxetan-3-yl)-1H-pyrrole-2-carboxaMide
CID 56941655
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 57394348
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 89463230
US10022354, Example 52
CID 121279730
N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide
CID 154654432
(E)-3-(2-((4-methylbenzyl)oxy)phenyl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6866659
N'-[(E)-(4-ethoxyphenyl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6869471
5-(1-Methyl-1H-pyrrol-2-yl)-2H-pyrazole-3-carboxylic acid (3-methoxy-benzylidene)-hydrazide
CID 9557099

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78880392) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)[nH]n1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is RGGHUQOVANPNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-13-20(14(2)27(3)26-13)17-11-18(25-24-17)21(28)23-12-15-8-9-22-19(10-15)29-16-6-4-5-7-16/h8-11,16H,4-7,12H2,1-3H3,(H,23,28)(H,24,25).
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78880392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).