[(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

C19H25N5O2 — CID 138016150

IUPAC[(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESCn1nccc1[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)C[C@H]1N
InChIInChI=1S/C19H25N5O2/c1-22-17(6-7-21-22)15-12-24(13-16(15)20)19(25)14-4-2-3-5-18(14)23-8-10-26-11-9-23/h2-7,15-16H,8-13,20H2,1H3/t15-,16-/m1/s1
InChIKeyCIBGQBCXBWSZNL-HZPDHXFCSA-N
MW355.44 g/mol
LogP0.82
Rot. Bonds3

About [(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

[(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (PubChem CID 138016150) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
PubChem CID138016150
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESCn1nccc1[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)C[C@H]1N
InChIInChI=1S/C19H25N5O2/c1-22-17(6-7-21-22)15-12-24(13-16(15)20)19(25)14-4-2-3-5-18(14)23-8-10-26-11-9-23/h2-7,15-16H,8-13,20H2,1H3/t15-,16-/m1/s1
InChIKeyCIBGQBCXBWSZNL-HZPDHXFCSA-N
XLogP0.82
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963
(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70747258
[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70760152
(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95321116
[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 86284534
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 155502885
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
CID 95144214
4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone
CID 51100287
(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119946982
2-morpholin-4-ylbenzohydrazide
CID 7148386

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of [(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (CID 138016150) is [(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is Cn1nccc1[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)C[C@H]1N.
What is the InChIKey of [(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is CIBGQBCXBWSZNL-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22-17(6-7-21-22)15-12-24(13-16(15)20)19(25)14-4-2-3-5-18(14)23-8-10-26-11-9-23/h2-7,15-16H,8-13,20H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
[(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 355.44 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 138016150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).