1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide

C16H23N5O2 — CID 154736963

IUPAC1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(c2nccn2C)C2CCOCC2)cn1
InChIInChI=1S/C16H23N5O2/c1-3-21-11-13(10-18-21)16(22)19-14(12-4-8-23-9-5-12)15-17-6-7-20(15)2/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyNOUBNYOSKPDIAI-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.53
Rot. Bonds5

About 1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide

1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 154736963) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID154736963
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(c2nccn2C)C2CCOCC2)cn1
InChIInChI=1S/C16H23N5O2/c1-3-21-11-13(10-18-21)16(22)19-14(12-4-8-23-9-5-12)15-17-6-7-20(15)2/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyNOUBNYOSKPDIAI-UHFFFAOYSA-N
XLogP1.53
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 128988058
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,5-a]pyridine-6-carboxamide
CID 167871599
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226
1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 154736699
3-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 128988071
6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide
CID 95562906
4-chloro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 129487218

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide (CID 154736963) is 1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NC(c2nccn2C)C2CCOCC2)cn1.
What is the InChIKey of 1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is NOUBNYOSKPDIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-21-11-13(10-18-21)16(22)19-14(12-4-8-23-9-5-12)15-17-6-7-20(15)2/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,19,22).
What are the key properties of 1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide?
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 154736963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).