N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide

C12H20N4O2 — CID 91843924

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C12H20N4O2/c1-18-5-4-16-3-2-10(9-16)6-13-12(17)11-7-14-15-8-11/h7-8,10H,2-6,9H2,1H3,(H,13,17)(H,14,15)
InChIKeyURQCFPSHWBTCOI-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.11
Rot. Bonds6

About N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 91843924) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID91843924
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C12H20N4O2/c1-18-5-4-16-3-2-10(9-16)6-13-12(17)11-7-14-15-8-11/h7-8,10H,2-6,9H2,1H3,(H,13,17)(H,14,15)
InChIKeyURQCFPSHWBTCOI-UHFFFAOYSA-N
XLogP0.11
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (CID 91843924) is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is COCCN1CCC(CNC(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is URQCFPSHWBTCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-18-5-4-16-3-2-10(9-16)6-13-12(17)11-7-14-15-8-11/h7-8,10H,2-6,9H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91843924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).