(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine

C17H30N4O — CID 125436312

IUPAC(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCC2(CN3CCOCC3)CC2)n1
InChIInChI=1S/C17H30N4O/c1-14-10-16(3)21(19-14)11-15(2)18-12-17(4-5-17)13-20-6-8-22-9-7-20/h10,15,18H,4-9,11-13H2,1-3H3/t15-/m1/s1
InChIKeyMTEGKPVJCSXNAJ-OAHLLOKOSA-N
MW306.45 g/mol
LogP1.59
Rot. Bonds7

About (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine

(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 125436312) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine
PubChem CID125436312
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCC2(CN3CCOCC3)CC2)n1
InChIInChI=1S/C17H30N4O/c1-14-10-16(3)21(19-14)11-15(2)18-12-17(4-5-17)13-20-6-8-22-9-7-20/h10,15,18H,4-9,11-13H2,1-3H3/t15-/m1/s1
InChIKeyMTEGKPVJCSXNAJ-OAHLLOKOSA-N
XLogP1.59
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine with MolForge

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Related Compounds

1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 131916675
(4S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96578908
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 94031608
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007709
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55740730
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118782464
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 97227229
2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187274
3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 91957324
(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197767
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618588

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine (CID 125436312) is (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine is Cc1cc(C)n(C[C@@H](C)NCC2(CN3CCOCC3)CC2)n1.
What is the InChIKey of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is MTEGKPVJCSXNAJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14-10-16(3)21(19-14)11-15(2)18-12-17(4-5-17)13-20-6-8-22-9-7-20/h10,15,18H,4-9,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine?
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 306.45 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 125436312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).