2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide

C15H26N4O — CID 66126685

IUPAC2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
SMILESCCCNC1CCC(NC(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C15H26N4O/c1-4-9-16-12-5-7-13(8-6-12)17-15(20)14-10-11(2)18-19(14)3/h10,12-13,16H,4-9H2,1-3H3,(H,17,20)
InChIKeyNNWPUYFKQITHRZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.77
Rot. Bonds5

About 2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide (PubChem CID 66126685) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
PubChem CID66126685
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
SMILESCCCNC1CCC(NC(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C15H26N4O/c1-4-9-16-12-5-7-13(8-6-12)17-15(20)14-10-11(2)18-19(14)3/h10,12-13,16H,4-9H2,1-3H3,(H,17,20)
InChIKeyNNWPUYFKQITHRZ-UHFFFAOYSA-N
XLogP1.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide (CID 66126685) is 2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide is CCCNC1CCC(NC(=O)c2cc(C)nn2C)CC1.
What is the InChIKey of 2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide?
The InChIKey is NNWPUYFKQITHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-9-16-12-5-7-13(8-6-12)17-15(20)14-10-11(2)18-19(14)3/h10,12-13,16H,4-9H2,1-3H3,(H,17,20).
What are the key properties of 2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide is sourced from PubChem (CID 66126685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).