3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide

C15H21N5O2 — CID 164637129

IUPAC3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide
SMILESCn1cc(CCC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cn1
InChIInChI=1S/C15H21N5O2/c1-20-9-11(8-16-20)4-5-15(21)17-14-7-13(18-19-14)12-3-2-6-22-10-12/h7-9,12H,2-6,10H2,1H3,(H2,17,18,19,21)/t12-/m0/s1
InChIKeyCXFJLTZLKZZBGL-LBPRGKRZSA-N
MW303.37 g/mol
LogP1.61
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide

3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide (PubChem CID 164637129) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide
PubChem CID164637129
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide
SMILESCn1cc(CCC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cn1
InChIInChI=1S/C15H21N5O2/c1-20-9-11(8-16-20)4-5-15(21)17-14-7-13(18-19-14)12-3-2-6-22-10-12/h7-9,12H,2-6,10H2,1H3,(H2,17,18,19,21)/t12-/m0/s1
InChIKeyCXFJLTZLKZZBGL-LBPRGKRZSA-N
XLogP1.61
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide (CID 164637129) is 3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide is Cn1cc(CCC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide?
The InChIKey is CXFJLTZLKZZBGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-20-9-11(8-16-20)4-5-15(21)17-14-7-13(18-19-14)12-3-2-6-22-10-12/h7-9,12H,2-6,10H2,1H3,(H2,17,18,19,21)/t12-/m0/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide?
3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide has a molecular weight of 303.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 164637129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).