3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide

C19H24N4O3 — CID 91786206

IUPAC3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C19H24N4O3/c1-12-17(18(23-22-12)13-5-6-13)19(24)21-15-7-9-25-11-16(15)26-10-14-4-2-3-8-20-14/h2-4,8,13,15-16H,5-7,9-11H2,1H3,(H,21,24)(H,22,23)/t15-,16-/m1/s1
InChIKeyTZAKHRVRFZOGJL-HZPDHXFCSA-N
MW356.43 g/mol
LogP2.09
Rot. Bonds6

About 3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide

3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 91786206) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID91786206
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C19H24N4O3/c1-12-17(18(23-22-12)13-5-6-13)19(24)21-15-7-9-25-11-16(15)26-10-14-4-2-3-8-20-14/h2-4,8,13,15-16H,5-7,9-11H2,1H3,(H,21,24)(H,22,23)/t15-,16-/m1/s1
InChIKeyTZAKHRVRFZOGJL-HZPDHXFCSA-N
XLogP2.09
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide
CID 91797644
3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91779690
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide
CID 91764518
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2H-benzotriazole-5-carboxamide
CID 91772579
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796
2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91767025
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91777996
5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
CID 91784370
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
CID 91759680
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91782411

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide (CID 91786206) is 3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C2CC2)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1.
What is the InChIKey of 3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is TZAKHRVRFZOGJL-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-17(18(23-22-12)13-5-6-13)19(24)21-15-7-9-25-11-16(15)26-10-14-4-2-3-8-20-14/h2-4,8,13,15-16H,5-7,9-11H2,1H3,(H,21,24)(H,22,23)/t15-,16-/m1/s1.
What are the key properties of 3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide?
3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91786206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).