4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide

C12H18FN5O3 — CID 163932043

IUPAC4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide
SMILESCNC(=O)CCNC(=O)Cn1nc(C)c(F)c1C(=O)NC
InChIInChI=1S/C12H18FN5O3/c1-7-10(13)11(12(21)15-3)18(17-7)6-9(20)16-5-4-8(19)14-2/h4-6H2,1-3H3,(H,14,19)(H,15,21)(H,16,20)
InChIKeyRJMOIXQBWNHTQQ-UHFFFAOYSA-N
MW299.31 g/mol
LogP-1.06
Rot. Bonds6

About 4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide

4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide (PubChem CID 163932043) has the molecular formula C12H18FN5O3 and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide
PubChem CID163932043
Molecular FormulaC12H18FN5O3
Molecular Weight299.31 g/mol
Exact Mass299.14
IUPAC Name4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide
SMILESCNC(=O)CCNC(=O)Cn1nc(C)c(F)c1C(=O)NC
InChIInChI=1S/C12H18FN5O3/c1-7-10(13)11(12(21)15-3)18(17-7)6-9(20)16-5-4-8(19)14-2/h4-6H2,1-3H3,(H,14,19)(H,15,21)(H,16,20)
InChIKeyRJMOIXQBWNHTQQ-UHFFFAOYSA-N
XLogP-1.06
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide (CID 163932043) is 4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide is CNC(=O)CCNC(=O)Cn1nc(C)c(F)c1C(=O)NC.
What is the InChIKey of 4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide?
The InChIKey is RJMOIXQBWNHTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O3/c1-7-10(13)11(12(21)15-3)18(17-7)6-9(20)16-5-4-8(19)14-2/h4-6H2,1-3H3,(H,14,19)(H,15,21)(H,16,20).
What are the key properties of 4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide?
4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide has a molecular weight of 299.31 g/mol, XLogP of -1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 163932043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).