[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone

C10H16N4O — CID 119934311

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CC[C@H](N)C2)cn1
InChIInChI=1S/C10H16N4O/c1-2-14-6-8(5-12-14)10(15)13-4-3-9(11)7-13/h5-6,9H,2-4,7,11H2,1H3/t9-/m0/s1
InChIKeyCPKHMPXYYOUIMQ-VIFPVBQESA-N
MW208.26 g/mol
LogP0.08
Rot. Bonds2

About [(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone

[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone (PubChem CID 119934311) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
PubChem CID119934311
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CC[C@H](N)C2)cn1
InChIInChI=1S/C10H16N4O/c1-2-14-6-8(5-12-14)10(15)13-4-3-9(11)7-13/h5-6,9H,2-4,7,11H2,1H3/t9-/m0/s1
InChIKeyCPKHMPXYYOUIMQ-VIFPVBQESA-N
XLogP0.08
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-ethylpyrazol-4-yl)methanone;hydrochloride
CID 119636568
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CID 119396309
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 124953187
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
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(1-ethylpyrazol-4-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124955870
(1-ethylpyrazol-4-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56714390
2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 119248465
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 175652313
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124980360
(2-aminocyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 116580054
(1-ethylpyrazol-4-yl)-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95556642

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone (CID 119934311) is [(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)N2CC[C@H](N)C2)cn1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is CPKHMPXYYOUIMQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-14-6-8(5-12-14)10(15)13-4-3-9(11)7-13/h5-6,9H,2-4,7,11H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 119934311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).