4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide

C10H14F2N4O — CID 90038703

IUPAC4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C2CCC(F)(F)CC2)c1N
InChIInChI=1S/C10H14F2N4O/c11-10(12)3-1-5(2-4-10)7-6(13)8(9(14)17)16-15-7/h5H,1-4,13H2,(H2,14,17)(H,15,16)
InChIKeyLXELLDYEABARPU-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.38
Rot. Bonds2

About 4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide

4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide (PubChem CID 90038703) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide
PubChem CID90038703
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C2CCC(F)(F)CC2)c1N
InChIInChI=1S/C10H14F2N4O/c11-10(12)3-1-5(2-4-10)7-6(13)8(9(14)17)16-15-7/h5H,1-4,13H2,(H2,14,17)(H,15,16)
InChIKeyLXELLDYEABARPU-UHFFFAOYSA-N
XLogP1.38
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide (CID 90038703) is 4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide is NC(=O)c1n[nH]c(C2CCC(F)(F)CC2)c1N.
What is the InChIKey of 4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide?
The InChIKey is LXELLDYEABARPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-10(12)3-1-5(2-4-10)7-6(13)8(9(14)17)16-15-7/h5H,1-4,13H2,(H2,14,17)(H,15,16).
What are the key properties of 4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide?
4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide has a molecular weight of 244.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4,4-difluorocyclohexyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90038703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).