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

C14H24N4O2 — CID 65358828

IUPAC4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H24N4O2/c1-2-18-12(11(15)9-17-18)13(19)16-10-14(20)7-5-3-4-6-8-14/h9,20H,2-8,10,15H2,1H3,(H,16,19)
InChIKeyMLDUDASRBMHTIH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.30
Rot. Bonds4

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

4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide (PubChem CID 65358828) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide
PubChem CID65358828
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H24N4O2/c1-2-18-12(11(15)9-17-18)13(19)16-10-14(20)7-5-3-4-6-8-14/h9,20H,2-8,10,15H2,1H3,(H,16,19)
InChIKeyMLDUDASRBMHTIH-UHFFFAOYSA-N
XLogP1.30
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide
CID 65358827
4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide
CID 114107088
4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 65358673
4-amino-1-ethyl-N-[(2-methylcyclohexyl)methyl]pyrazole-5-carboxamide
CID 65358665
4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide
CID 114107119
2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
CID 83202536
4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123246
4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 19620445
4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide
CID 65357053
4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106358691
4-amino-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 65357279

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide (CID 65358828) is 4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide?
The InChIKey is MLDUDASRBMHTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-18-12(11(15)9-17-18)13(19)16-10-14(20)7-5-3-4-6-8-14/h9,20H,2-8,10,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.30, 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-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65358828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).