4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide

C19H24N4O2 — CID 50954648

IUPAC4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide
SMILESCOc1ccc(-n2cc(C3=CCN(CCCC(N)=O)CC3)cn2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-18-6-4-17(5-7-18)23-14-16(13-21-23)15-8-11-22(12-9-15)10-2-3-19(20)24/h4-8,13-14H,2-3,9-12H2,1H3,(H2,20,24)
InChIKeyVXVPBEXESLDCRM-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.24
Rot. Bonds7

About 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide

4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide (PubChem CID 50954648) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide.

Molecular Properties

Compound Name4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide
PubChem CID50954648
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide
SMILESCOc1ccc(-n2cc(C3=CCN(CCCC(N)=O)CC3)cn2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-18-6-4-17(5-7-18)23-14-16(13-21-23)15-8-11-22(12-9-15)10-2-3-19(20)24/h4-8,13-14H,2-3,9-12H2,1H3,(H2,20,24)
InChIKeyVXVPBEXESLDCRM-UHFFFAOYSA-N
XLogP2.24
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide?
The IUPAC name of 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide (CID 50954648) is 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide.
What is the SMILES notation for 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide?
The canonical SMILES for 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide is COc1ccc(-n2cc(C3=CCN(CCCC(N)=O)CC3)cn2)cc1.
What is the InChIKey of 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide?
The InChIKey is VXVPBEXESLDCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-18-6-4-17(5-7-18)23-14-16(13-21-23)15-8-11-22(12-9-15)10-2-3-19(20)24/h4-8,13-14H,2-3,9-12H2,1H3,(H2,20,24).
What are the key properties of 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide?
4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide has a molecular weight of 340.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide is sourced from PubChem (CID 50954648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).