(2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C18H32N6O2 — CID 56706607

IUPAC(2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1nn(C)c(N2CCOCC2)c1CN1C[C@@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C18H32N6O2/c1-12(2)20-17(25)16-9-14(19)10-24(16)11-15-13(3)21-22(4)18(15)23-5-7-26-8-6-23/h12,14,16H,5-11,19H2,1-4H3,(H,20,25)/t14-,16-/m0/s1
InChIKeyJYLLVWVXRXWZDZ-HOCLYGCPSA-N
MW364.49 g/mol
LogP-0.01
Rot. Bonds5

About (2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56706607) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56706607
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name(2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1nn(C)c(N2CCOCC2)c1CN1C[C@@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C18H32N6O2/c1-12(2)20-17(25)16-9-14(19)10-24(16)11-15-13(3)21-22(4)18(15)23-5-7-26-8-6-23/h12,14,16H,5-11,19H2,1-4H3,(H,20,25)/t14-,16-/m0/s1
InChIKeyJYLLVWVXRXWZDZ-HOCLYGCPSA-N
XLogP-0.01
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-{[1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}hexanamide
CID 3776710
2-[(1-Methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51104825
3-[(1,3-Dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]azepan-2-one
CID 51104974
N-ethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 53539387
N,N-dimethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 53539931
N,N-dimethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 53540774
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 53543147
8-[(1,3-dimethyl-5-morpholin-4-yl-1H-pyrazol-4-yl)methyl]hexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50974185
(2S,4R)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-yl-1H-pyrazol-4-yl)methyl]-N-isopropylpyrrolidine-2-carboxamide
CID 56710443
Tert-butyl 3-[(2,6-dioxopiperidin-3-yl)amino]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 146574453
1-[4-(Aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide
CID 43122279
4-[1,3-Dimethyl-4-[[(1-methylethyl)amino]methyl]-1H-pyrazol-5-yl]-2-piperazinone
CID 43281142

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56706607) is (2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1nn(C)c(N2CCOCC2)c1CN1C[C@@H](N)C[C@H]1C(=O)NC(C)C.
What is the InChIKey of (2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is JYLLVWVXRXWZDZ-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-12(2)20-17(25)16-9-14(19)10-24(16)11-15-13(3)21-22(4)18(15)23-5-7-26-8-6-23/h12,14,16H,5-11,19H2,1-4H3,(H,20,25)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56706607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).