4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide

C15H26N4O2 — CID 65358827

IUPAC4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2c(N)cnn2CC)CC1
InChIInChI=1S/C15H26N4O2/c1-3-11-5-7-15(21,8-6-11)10-17-14(20)13-12(16)9-18-19(13)4-2/h9,11,21H,3-8,10,16H2,1-2H3,(H,17,20)
InChIKeyKDKWSTDXMGLOMF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.55
Rot. Bonds5

About 4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide (PubChem CID 65358827) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide
PubChem CID65358827
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2c(N)cnn2CC)CC1
InChIInChI=1S/C15H26N4O2/c1-3-11-5-7-15(21,8-6-11)10-17-14(20)13-12(16)9-18-19(13)4-2/h9,11,21H,3-8,10,16H2,1-2H3,(H,17,20)
InChIKeyKDKWSTDXMGLOMF-UHFFFAOYSA-N
XLogP1.55
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.55
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-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide (CID 65358827) is 4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide is CCC1CCC(O)(CNC(=O)c2c(N)cnn2CC)CC1.
What is the InChIKey of 4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide?
The InChIKey is KDKWSTDXMGLOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-11-5-7-15(21,8-6-11)10-17-14(20)13-12(16)9-18-19(13)4-2/h9,11,21H,3-8,10,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.55, 5 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-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65358827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).