1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide

C22H30N4O2 — CID 55842362

IUPAC1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NCc2cccnc2OC2CCCC2)cc1C1CC1
InChIInChI=1S/C22H30N4O2/c1-22(2,3)26-19(15-10-11-15)13-18(25-26)20(27)24-14-16-7-6-12-23-21(16)28-17-8-4-5-9-17/h6-7,12-13,15,17H,4-5,8-11,14H2,1-3H3,(H,24,27)
InChIKeyQSCCHHWWXUTXTM-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.16
Rot. Bonds6

About 1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide

1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide (PubChem CID 55842362) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide
PubChem CID55842362
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NCc2cccnc2OC2CCCC2)cc1C1CC1
InChIInChI=1S/C22H30N4O2/c1-22(2,3)26-19(15-10-11-15)13-18(25-26)20(27)24-14-16-7-6-12-23-21(16)28-17-8-4-5-9-17/h6-7,12-13,15,17H,4-5,8-11,14H2,1-3H3,(H,24,27)
InChIKeyQSCCHHWWXUTXTM-UHFFFAOYSA-N
XLogP4.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 55848445
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
CID 46434206
N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62297718
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55659910
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 124742659
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 39473460
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
CID 71896675
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044376
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
CID 46434537
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide
CID 152703549

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide (CID 55842362) is 1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide is CC(C)(C)n1nc(C(=O)NCc2cccnc2OC2CCCC2)cc1C1CC1.
What is the InChIKey of 1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide?
The InChIKey is QSCCHHWWXUTXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-22(2,3)26-19(15-10-11-15)13-18(25-26)20(27)24-14-16-7-6-12-23-21(16)28-17-8-4-5-9-17/h6-7,12-13,15,17H,4-5,8-11,14H2,1-3H3,(H,24,27).
What are the key properties of 1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide?
1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide is sourced from PubChem (CID 55842362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).