N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide

C15H26N4O2 — CID 129369601

IUPACN-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOCCN1CC[C@H](CNC(=O)CCc2cnn(C)c2)C1
InChIInChI=1S/C15H26N4O2/c1-18-11-13(10-17-18)3-4-15(20)16-9-14-5-6-19(12-14)7-8-21-2/h10-11,14H,3-9,12H2,1-2H3,(H,16,20)/t14-/m1/s1
InChIKeyFDHFDAHOTRKWOW-CQSZACIVSA-N
MW294.40 g/mol
LogP0.44
Rot. Bonds8

About N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 129369601) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID129369601
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOCCN1CC[C@H](CNC(=O)CCc2cnn(C)c2)C1
InChIInChI=1S/C15H26N4O2/c1-18-11-13(10-17-18)3-4-15(20)16-9-14-5-6-19(12-14)7-8-21-2/h10-11,14H,3-9,12H2,1-2H3,(H,16,20)/t14-/m1/s1
InChIKeyFDHFDAHOTRKWOW-CQSZACIVSA-N
XLogP0.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 94609346
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 71880008
3-cyclobutyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 131900683
3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide
CID 131937123
3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
CID 102548376
5-hydroxy-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 118782526
4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 125445471
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 71880016
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 80689417
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 129369601) is N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide is COCCN1CC[C@H](CNC(=O)CCc2cnn(C)c2)C1.
What is the InChIKey of N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is FDHFDAHOTRKWOW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-18-11-13(10-17-18)3-4-15(20)16-9-14-5-6-19(12-14)7-8-21-2/h10-11,14H,3-9,12H2,1-2H3,(H,16,20)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 129369601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).