N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

C16H23N5O2 — CID 128988082

IUPACN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCn1ccnc1C(NC(=O)c1cn[nH]c1C)C1CCOCC1
InChIInChI=1S/C16H23N5O2/c1-3-21-7-6-17-15(21)14(12-4-8-23-9-5-12)19-16(22)13-10-18-20-11(13)2/h6-7,10,12,14H,3-5,8-9H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyMVDRKXVBQZAMOV-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.83
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 128988082) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID128988082
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCn1ccnc1C(NC(=O)c1cn[nH]c1C)C1CCOCC1
InChIInChI=1S/C16H23N5O2/c1-3-21-7-6-17-15(21)14(12-4-8-23-9-5-12)19-16(22)13-10-18-20-11(13)2/h6-7,10,12,14H,3-5,8-9H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyMVDRKXVBQZAMOV-UHFFFAOYSA-N
XLogP1.83
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 128988082) is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is CCn1ccnc1C(NC(=O)c1cn[nH]c1C)C1CCOCC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is MVDRKXVBQZAMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-21-7-6-17-15(21)14(12-4-8-23-9-5-12)19-16(22)13-10-18-20-11(13)2/h6-7,10,12,14H,3-5,8-9H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128988082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).