5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine

C13H28BrN5O — CID 162381350

IUPAC5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine
SMILESC1CCNC1.CC.CC.CNc1n[nH]c(Br)c1C(N)=O
InChIInChI=1S/C5H7BrN4O.C4H9N.2C2H6/c1-8-5-2(4(7)11)3(6)9-10-5;1-2-4-5-3-1;2*1-2/h1H3,(H2,7,11)(H2,8,9,10);5H,1-4H2;2*1-2H3
InChIKeyBOQJYFFKPNIGSN-UHFFFAOYSA-N
MW350.31 g/mol
LogP2.73
Rot. Bonds2

About 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine

5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine (PubChem CID 162381350) has the molecular formula C13H28BrN5O and a molecular weight of 350.31 g/mol. Its IUPAC name is 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine.

Molecular Properties

Compound Name5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine
PubChem CID162381350
Molecular FormulaC13H28BrN5O
Molecular Weight350.31 g/mol
Exact Mass349.15
IUPAC Name5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine
SMILESC1CCNC1.CC.CC.CNc1n[nH]c(Br)c1C(N)=O
InChIInChI=1S/C5H7BrN4O.C4H9N.2C2H6/c1-8-5-2(4(7)11)3(6)9-10-5;1-2-4-5-3-1;2*1-2/h1H3,(H2,7,11)(H2,8,9,10);5H,1-4H2;2*1-2H3
InChIKeyBOQJYFFKPNIGSN-UHFFFAOYSA-N
XLogP2.73
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 162380708
5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380724
5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;1-pyrrolidin-1-ylprop-2-en-1-one
CID 162380772
5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine
CID 162380891
5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide;ethane;1-pyrrolidin-1-ylprop-2-en-1-one
CID 162381943
3-Bromo-5-(methylamino)-1-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 164780221
5-amino-3-(ethylamino)-1H-pyrazole-4-carboxamide
CID 144926776
5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide
CID 162380629
5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380815
3-bromo-5-(methylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162381358
5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbaldehyde
CID 162381398

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine?
The IUPAC name of 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine (CID 162381350) is 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine.
What is the SMILES notation for 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine?
The canonical SMILES for 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine is C1CCNC1.CC.CC.CNc1n[nH]c(Br)c1C(N)=O.
What is the InChIKey of 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine?
The InChIKey is BOQJYFFKPNIGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O.C4H9N.2C2H6/c1-8-5-2(4(7)11)3(6)9-10-5;1-2-4-5-3-1;2*1-2/h1H3,(H2,7,11)(H2,8,9,10);5H,1-4H2;2*1-2H3.
What are the key properties of 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine?
5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine has a molecular weight of 350.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine is sourced from PubChem (CID 162381350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).