1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide

C11H17N3O2 — CID 71984108

IUPAC1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2(O)CCC2)cn1
InChIInChI=1S/C11H17N3O2/c1-2-14-7-9(6-13-14)10(15)12-8-11(16)4-3-5-11/h6-7,16H,2-5,8H2,1H3,(H,12,15)
InChIKeyFYWHIWPZAHDKLK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds4

About 1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide

1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide (PubChem CID 71984108) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide
PubChem CID71984108
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2(O)CCC2)cn1
InChIInChI=1S/C11H17N3O2/c1-2-14-7-9(6-13-14)10(15)12-8-11(16)4-3-5-11/h6-7,16H,2-5,8H2,1H3,(H,12,15)
InChIKeyFYWHIWPZAHDKLK-UHFFFAOYSA-N
XLogP0.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide (CID 71984108) is 1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NCC2(O)CCC2)cn1.
What is the InChIKey of 1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide?
The InChIKey is FYWHIWPZAHDKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14-7-9(6-13-14)10(15)12-8-11(16)4-3-5-11/h6-7,16H,2-5,8H2,1H3,(H,12,15).
What are the key properties of 1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide?
1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-hydroxycyclobutyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71984108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).