2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide

C16H19FN4O3 — CID 46994664

IUPAC2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide
SMILESCOCc1cc(CNC(=O)CCNC(=O)c2ccccc2F)[nH]n1
InChIInChI=1S/C16H19FN4O3/c1-24-10-12-8-11(20-21-12)9-19-15(22)6-7-18-16(23)13-4-2-3-5-14(13)17/h2-5,8H,6-7,9-10H2,1H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyYNKRAYVKUWXIQZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.13
Rot. Bonds8

About 2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide

2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide (PubChem CID 46994664) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide
PubChem CID46994664
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide
SMILESCOCc1cc(CNC(=O)CCNC(=O)c2ccccc2F)[nH]n1
InChIInChI=1S/C16H19FN4O3/c1-24-10-12-8-11(20-21-12)9-19-15(22)6-7-18-16(23)13-4-2-3-5-14(13)17/h2-5,8H,6-7,9-10H2,1H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyYNKRAYVKUWXIQZ-UHFFFAOYSA-N
XLogP1.13
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide (CID 46994664) is 2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide is COCc1cc(CNC(=O)CCNC(=O)c2ccccc2F)[nH]n1.
What is the InChIKey of 2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide?
The InChIKey is YNKRAYVKUWXIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-24-10-12-8-11(20-21-12)9-19-15(22)6-7-18-16(23)13-4-2-3-5-14(13)17/h2-5,8H,6-7,9-10H2,1H3,(H,18,23)(H,19,22)(H,20,21).
What are the key properties of 2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide?
2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide has a molecular weight of 334.35 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 46994664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).