CID 162380654

C11H17BrN5O2Si — CID 162380654

IUPAC—
SMILESCNc1c(C(N)=O)c(Br)nn1[C@]1([Si])CN[C@@H](C(C)O)C1
InChIInChI=1S/C11H17BrN5O2Si/c1-5(18)6-3-11(20,4-15-6)17-10(14-2)7(9(13)19)8(12)16-17/h5-6,14-15,18H,3-4H2,1-2H3,(H2,13,19)/t5?,6-,11-/m1/s1
InChIKeyOHAXDBDYRMCPDX-GHLOERTESA-N
MW359.28 g/mol
LogP-0.65
Rot. Bonds4

About CID 162380654

CID 162380654 (PubChem CID 162380654) has the molecular formula C11H17BrN5O2Si and a molecular weight of 359.28 g/mol.

Molecular Properties

Compound NameCID 162380654
PubChem CID162380654
Molecular FormulaC11H17BrN5O2Si
Molecular Weight359.28 g/mol
Exact Mass358.03
IUPAC Name—
SMILESCNc1c(C(N)=O)c(Br)nn1[C@]1([Si])CN[C@@H](C(C)O)C1
InChIInChI=1S/C11H17BrN5O2Si/c1-5(18)6-3-11(20,4-15-6)17-10(14-2)7(9(13)19)8(12)16-17/h5-6,14-15,18H,3-4H2,1-2H3,(H2,13,19)/t5?,6-,11-/m1/s1
InChIKeyOHAXDBDYRMCPDX-GHLOERTESA-N
XLogP-0.65
TPSA105.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;dihydrochloride
CID 162380607
3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380608
3-bromo-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380922
3-bromo-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide;dihydrochloride
CID 162381127
CID 162381137
CID 162381137
CID 162381194
CID 162381194
CID 162381309
CID 162381309
3-bromo-5-(2-methoxyethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
CID 162381384
3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
CID 162381452
3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162381453
3-bromo-5-(2-hydroxyethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162381763
5-amino-3-bromo-1-[(3S,5R)-5-(1-hydroxyethyl)-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide
CID 164780088

Frequently Asked Questions

What is the IUPAC name of CID 162380654?
The IUPAC name of CID 162380654 (CID 162380654) is not available.
What is the SMILES notation for CID 162380654?
The canonical SMILES for CID 162380654 is CNc1c(C(N)=O)c(Br)nn1[C@]1([Si])CN[C@@H](C(C)O)C1.
What is the InChIKey of CID 162380654?
The InChIKey is OHAXDBDYRMCPDX-GHLOERTESA-N. The full InChI is InChI=1S/C11H17BrN5O2Si/c1-5(18)6-3-11(20,4-15-6)17-10(14-2)7(9(13)19)8(12)16-17/h5-6,14-15,18H,3-4H2,1-2H3,(H2,13,19)/t5?,6-,11-/m1/s1.
What are the key properties of CID 162380654?
CID 162380654 has a molecular weight of 359.28 g/mol, XLogP of -0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162380654 is sourced from PubChem (CID 162380654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).