2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol

C16H30N4O — CID 72850855

IUPAC2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1C[C@H](C(C)C)[C@@H](N(C)C)C1
InChIInChI=1S/C16H30N4O/c1-12(2)15-10-19(11-16(15)18(4)5)8-14-9-20(6-7-21)17-13(14)3/h9,12,15-16,21H,6-8,10-11H2,1-5H3/t15-,16+/m1/s1
InChIKeyWEAOWVLPKZKVQN-CVEARBPZSA-N
MW294.44 g/mol
LogP1.20
Rot. Bonds6

About 2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol

2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol (PubChem CID 72850855) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
PubChem CID72850855
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1C[C@H](C(C)C)[C@@H](N(C)C)C1
InChIInChI=1S/C16H30N4O/c1-12(2)15-10-19(11-16(15)18(4)5)8-14-9-20(6-7-21)17-13(14)3/h9,12,15-16,21H,6-8,10-11H2,1-5H3/t15-,16+/m1/s1
InChIKeyWEAOWVLPKZKVQN-CVEARBPZSA-N
XLogP1.20
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[3-methyl-4-({4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}methyl)-1H-pyrazol-1-yl]ethanol
CID 70767261
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CID 70778501
{(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methanol
CID 91920881
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CID 28768981
(3S*,4S*)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
CID 77091611
{1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1,3'-bipiperidin-4-yl}methanol
CID 45191499
((2S)-1-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methanol
CID 124051119
[(2S)-1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-4,4-difluoropyrrolidin-2-yl]methanol
CID 124051128
[(2S,4S)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 128983330
2-(4-{[4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]methyl}-3-methyl-1H-pyrazol-1-yl)ethanol trifluoroacetate (salt)
CID 28730151
2-{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-isobutyl-2-piperazinyl}ethanol
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2-{1-cyclopentyl-4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol (CID 72850855) is 2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN1C[C@H](C(C)C)[C@@H](N(C)C)C1.
What is the InChIKey of 2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
The InChIKey is WEAOWVLPKZKVQN-CVEARBPZSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12(2)15-10-19(11-16(15)18(4)5)8-14-9-20(6-7-21)17-13(14)3/h9,12,15-16,21H,6-8,10-11H2,1-5H3/t15-,16+/m1/s1.
What are the key properties of 2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol has a molecular weight of 294.44 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 72850855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).