3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide

C15H24N4O — CID 99696910

IUPAC3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide
SMILESCC1=CCC[C@H](C)[C@H]1CNc1ccn(CCC(N)=O)n1
InChIInChI=1S/C15H24N4O/c1-11-4-3-5-12(2)13(11)10-17-15-7-9-19(18-15)8-6-14(16)20/h4,7,9,12-13H,3,5-6,8,10H2,1-2H3,(H2,16,20)(H,17,18)/t12-,13-/m0/s1
InChIKeySRFFQABBUQQCDU-STQMWFEESA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds6

About 3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide

3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide (PubChem CID 99696910) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide
PubChem CID99696910
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide
SMILESCC1=CCC[C@H](C)[C@H]1CNc1ccn(CCC(N)=O)n1
InChIInChI=1S/C15H24N4O/c1-11-4-3-5-12(2)13(11)10-17-15-7-9-19(18-15)8-6-14(16)20/h4,7,9,12-13H,3,5-6,8,10H2,1-2H3,(H2,16,20)(H,17,18)/t12-,13-/m0/s1
InChIKeySRFFQABBUQQCDU-STQMWFEESA-N
XLogP2.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide (CID 99696910) is 3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide is CC1=CCC[C@H](C)[C@H]1CNc1ccn(CCC(N)=O)n1.
What is the InChIKey of 3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide?
The InChIKey is SRFFQABBUQQCDU-STQMWFEESA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-4-3-5-12(2)13(11)10-17-15-7-9-19(18-15)8-6-14(16)20/h4,7,9,12-13H,3,5-6,8,10H2,1-2H3,(H2,16,20)(H,17,18)/t12-,13-/m0/s1.
What are the key properties of 3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide?
3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 99696910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).