(2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine

C17H30N4 — CID 97471009

IUPAC(2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C)[C@@H]1CCN(CC2CC2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C17H30N4/c1-13(2)20(4)16-7-8-21(12-14-5-6-14)17(16)9-15-10-18-19(3)11-15/h10-11,13-14,16-17H,5-9,12H2,1-4H3/t16-,17+/m1/s1
InChIKeyYROJZRUVMMEVTI-SJORKVTESA-N
MW290.45 g/mol
LogP2.16
Rot. Bonds6

About (2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine

(2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 97471009) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is (2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
PubChem CID97471009
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name(2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C)[C@@H]1CCN(CC2CC2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C17H30N4/c1-13(2)20(4)16-7-8-21(12-14-5-6-14)17(16)9-15-10-18-19(3)11-15/h10-11,13-14,16-17H,5-9,12H2,1-4H3/t16-,17+/m1/s1
InChIKeyYROJZRUVMMEVTI-SJORKVTESA-N
XLogP2.16
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3R)-3-[methyl(propan-2-yl)amino]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 134690016
(2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97384331
(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 97470960
3-[[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 97470959
1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 131689960
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
2-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155849479
(2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 97384282
4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 97470685
1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol
CID 111107030
4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole
CID 64508030
[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131683439

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine (CID 97471009) is (2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine is CC(C)N(C)[C@@H]1CCN(CC2CC2)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of (2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is YROJZRUVMMEVTI-SJORKVTESA-N. The full InChI is InChI=1S/C17H30N4/c1-13(2)20(4)16-7-8-21(12-14-5-6-14)17(16)9-15-10-18-19(3)11-15/h10-11,13-14,16-17H,5-9,12H2,1-4H3/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
(2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 97471009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).