3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide

C17H21N5O2 — CID 75404902

IUPAC3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide
SMILESNC(=O)NCCC(=O)NCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C17H21N5O2/c18-17(24)19-10-9-16(23)20-11-14-13-7-4-8-15(13)22(21-14)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,20,23)(H3,18,19,24)
InChIKeyVGTDLXVIQWYTNK-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.04
Rot. Bonds6

About 3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide

3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide (PubChem CID 75404902) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide
PubChem CID75404902
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide
SMILESNC(=O)NCCC(=O)NCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C17H21N5O2/c18-17(24)19-10-9-16(23)20-11-14-13-7-4-8-15(13)22(21-14)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,20,23)(H3,18,19,24)
InChIKeyVGTDLXVIQWYTNK-UHFFFAOYSA-N
XLogP1.04
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide (CID 75404902) is 3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide is NC(=O)NCCC(=O)NCc1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide?
The InChIKey is VGTDLXVIQWYTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-17(24)19-10-9-16(23)20-11-14-13-7-4-8-15(13)22(21-14)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,20,23)(H3,18,19,24).
What are the key properties of 3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide?
3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide has a molecular weight of 327.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 75404902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).