1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine

C13H22N4 — CID 114554500

IUPAC1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C2CC2)C1c1ccnn1C
InChIInChI=1S/C13H22N4/c1-14-9-10-6-8-17(11-3-4-11)13(10)12-5-7-15-16(12)2/h5,7,10-11,13-14H,3-4,6,8-9H2,1-2H3
InChIKeyDHYNENRJEHOVPD-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.16
Rot. Bonds4

About 1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 114554500) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID114554500
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C2CC2)C1c1ccnn1C
InChIInChI=1S/C13H22N4/c1-14-9-10-6-8-17(11-3-4-11)13(10)12-5-7-15-16(12)2/h5,7,10-11,13-14H,3-4,6,8-9H2,1-2H3
InChIKeyDHYNENRJEHOVPD-UHFFFAOYSA-N
XLogP1.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 114554487
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
CID 154756685
1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 79584422
1-[1-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 66161757
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 128981640
N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide
CID 122096030
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide
CID 128984974
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 128989386
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 128981714
4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile
CID 167892074
4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide
CID 154795631
1-[4-cyclopropyl-3-(2-ethylpyrazol-3-yl)morpholin-2-yl]-N-methylmethanamine
CID 114557732

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine (CID 114554500) is 1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(C2CC2)C1c1ccnn1C.
What is the InChIKey of 1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is DHYNENRJEHOVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-9-10-6-8-17(11-3-4-11)13(10)12-5-7-15-16(12)2/h5,7,10-11,13-14H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114554500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).