N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C15H22N6O — CID 129338235

IUPACN-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCCn1cc(CN2CC[C@H](n3ccc(NC(C)=O)n3)C2)cn1
InChIInChI=1S/C15H22N6O/c1-3-20-10-13(8-16-20)9-19-6-4-14(11-19)21-7-5-15(18-21)17-12(2)22/h5,7-8,10,14H,3-4,6,9,11H2,1-2H3,(H,17,18,22)/t14-/m0/s1
InChIKeyUFRCXBHEEOEBCG-AWEZNQCLSA-N
MW302.38 g/mol
LogP1.50
Rot. Bonds5

About N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129338235) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129338235
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCCn1cc(CN2CC[C@H](n3ccc(NC(C)=O)n3)C2)cn1
InChIInChI=1S/C15H22N6O/c1-3-20-10-13(8-16-20)9-19-6-4-14(11-19)21-7-5-15(18-21)17-12(2)22/h5,7-8,10,14H,3-4,6,9,11H2,1-2H3,(H,17,18,22)/t14-/m0/s1
InChIKeyUFRCXBHEEOEBCG-AWEZNQCLSA-N
XLogP1.50
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129003877
N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129328085
N-[1-[(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129341818
N-[1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129006730
N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 119038675
N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129335489
N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129334130
N-[1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129339923
N-[1-[(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129325497
N-[1-[(3S)-1-[(2R)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327404
N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327403
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129338235) is N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CCn1cc(CN2CC[C@H](n3ccc(NC(C)=O)n3)C2)cn1.
What is the InChIKey of N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is UFRCXBHEEOEBCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-20-10-13(8-16-20)9-19-6-4-14(11-19)21-7-5-15(18-21)17-12(2)22/h5,7-8,10,14H,3-4,6,9,11H2,1-2H3,(H,17,18,22)/t14-/m0/s1.
What are the key properties of N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129338235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).