1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine

C18H31N5O — CID 51105035

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNCC1CCN(C2CC2)C1
InChIInChI=1S/C18H31N5O/c1-14-17(18(21(2)20-14)22-7-9-24-10-8-22)12-19-11-15-5-6-23(13-15)16-3-4-16/h15-16,19H,3-13H2,1-2H3
InChIKeyYNMSWBZYQPXGMC-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.14
Rot. Bonds6

About 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine

1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 51105035) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine
PubChem CID51105035
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNCC1CCN(C2CC2)C1
InChIInChI=1S/C18H31N5O/c1-14-17(18(21(2)20-14)22-7-9-24-10-8-22)12-19-11-15-5-6-23(13-15)16-3-4-16/h15-16,19H,3-13H2,1-2H3
InChIKeyYNMSWBZYQPXGMC-UHFFFAOYSA-N
XLogP1.14
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 62407467
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 55134728
1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 51105247
[1-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]methanol
CID 112626629
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(3R)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 95315792
(1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol
CID 95138920
[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine
CID 63171037
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43581790
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 104959482
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60762346
1-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 124696766
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-methylindazol-3-amine
CID 154778821

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine (CID 51105035) is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(N2CCOCC2)c1CNCC1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is YNMSWBZYQPXGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-14-17(18(21(2)20-14)22-7-9-24-10-8-22)12-19-11-15-5-6-23(13-15)16-3-4-16/h15-16,19H,3-13H2,1-2H3.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine?
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 333.48 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 51105035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).