3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride

C14H24BrClN6O2 — CID 162381799

IUPAC3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1c(Br)nn([C@H]2CCNC2)c1NCCN1CCOCC1
InChIInChI=1S/C14H23BrN6O2.ClH/c15-12-11(13(16)22)14(21(19-12)10-1-2-17-9-10)18-3-4-20-5-7-23-8-6-20;/h10,17-18H,1-9H2,(H2,16,22);1H/t10-;/m0./s1
InChIKeyALQZILIXJWIUIJ-PPHPATTJSA-N
MW423.74 g/mol
LogP0.44
Rot. Bonds6

About 3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride

3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 162381799) has the molecular formula C14H24BrClN6O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is 3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
PubChem CID162381799
Molecular FormulaC14H24BrClN6O2
Molecular Weight423.74 g/mol
Exact Mass422.08
IUPAC Name3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1c(Br)nn([C@H]2CCNC2)c1NCCN1CCOCC1
InChIInChI=1S/C14H23BrN6O2.ClH/c15-12-11(13(16)22)14(21(19-12)10-1-2-17-9-10)18-3-4-20-5-7-23-8-6-20;/h10,17-18H,1-9H2,(H2,16,22);1H/t10-;/m0./s1
InChIKeyALQZILIXJWIUIJ-PPHPATTJSA-N
XLogP0.44
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 164780268
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
tert-butyl (2R,4S)-4-[3-bromo-4-carbamoyl-5-(2-morpholin-4-ylethylamino)pyrazol-1-yl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 162380642
3-bromo-5-(2-methoxyethylamino)-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380647
tert-butyl (3S)-3-[3-bromo-4-carbamoyl-5-(2-methoxyethylamino)pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 162380650
tert-butyl (3S)-3-[3-bromo-4-carbamoyl-5-(2-morpholin-4-ylethylamino)pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 162380742
3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380800
3-bromo-5-(3-morpholin-4-ylpropylamino)-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380808
5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine
CID 162380891
3-bromo-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380922
3-bromo-5-(3-morpholin-4-ylpropylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
CID 162381003

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride (CID 162381799) is 3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride is Cl.NC(=O)c1c(Br)nn([C@H]2CCNC2)c1NCCN1CCOCC1.
What is the InChIKey of 3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is ALQZILIXJWIUIJ-PPHPATTJSA-N. The full InChI is InChI=1S/C14H23BrN6O2.ClH/c15-12-11(13(16)22)14(21(19-12)10-1-2-17-9-10)18-3-4-20-5-7-23-8-6-20;/h10,17-18H,1-9H2,(H2,16,22);1H/t10-;/m0./s1.
What are the key properties of 3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 423.74 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 162381799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).