4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide

C13H22N4O2 — CID 65358673

IUPAC4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H22N4O2/c1-2-17-11(10(14)8-15-17)12(19)16-13(9-18)6-4-3-5-7-13/h8,18H,2-7,9,14H2,1H3,(H,16,19)
InChIKeyMSXOUXSHFFGGRF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.91
Rot. Bonds4

About 4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide (PubChem CID 65358673) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
PubChem CID65358673
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H22N4O2/c1-2-17-11(10(14)8-15-17)12(19)16-13(9-18)6-4-3-5-7-13/h8,18H,2-7,9,14H2,1H3,(H,16,19)
InChIKeyMSXOUXSHFFGGRF-UHFFFAOYSA-N
XLogP0.91
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide (CID 65358673) is 4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
The InChIKey is MSXOUXSHFFGGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-17-11(10(14)8-15-17)12(19)16-13(9-18)6-4-3-5-7-13/h8,18H,2-7,9,14H2,1H3,(H,16,19).
What are the key properties of 4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65358673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).