N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C16H20N4O2 — CID 125441800

IUPACN-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCC[C@@H]1CCCOC1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H20N4O2/c21-16(18-8-3-12-2-1-9-22-11-12)15-10-14(19-20-15)13-4-6-17-7-5-13/h4-7,10,12H,1-3,8-9,11H2,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKeyGZKYDKFBWSIOSM-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.02
Rot. Bonds5

About N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 125441800) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID125441800
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCC[C@@H]1CCCOC1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H20N4O2/c21-16(18-8-3-12-2-1-9-22-11-12)15-10-14(19-20-15)13-4-6-17-7-5-13/h4-7,10,12H,1-3,8-9,11H2,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKeyGZKYDKFBWSIOSM-LBPRGKRZSA-N
XLogP2.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-4-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide
CID 74236471
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 91822811
N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166207649
3-amino-N-(2-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523051
N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 122561785
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53014349
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19510216
1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea
CID 125159828

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 125441800) is N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is O=C(NCC[C@@H]1CCCOC1)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is GZKYDKFBWSIOSM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(18-8-3-12-2-1-9-22-11-12)15-10-14(19-20-15)13-4-6-17-7-5-13/h4-7,10,12H,1-3,8-9,11H2,(H,18,21)(H,19,20)/t12-/m0/s1.
What are the key properties of N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 125441800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).