3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide

C14H22BrN5O2 — CID 162381453

IUPAC3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCOC[C@H]1C[C@H](n2nc(Br)c(C(N)=O)c2NCC2CC2)CN1
InChIInChI=1S/C14H22BrN5O2/c1-22-7-9-4-10(6-17-9)20-14(18-5-8-2-3-8)11(13(16)21)12(15)19-20/h8-10,17-18H,2-7H2,1H3,(H2,16,21)/t9-,10+/m1/s1
InChIKeyWWPZAMASLRRUNN-ZJUUUORDSA-N
MW372.27 g/mol
LogP1.12
Rot. Bonds7

About 3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide

3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 162381453) has the molecular formula C14H22BrN5O2 and a molecular weight of 372.27 g/mol. Its IUPAC name is 3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID162381453
Molecular FormulaC14H22BrN5O2
Molecular Weight372.27 g/mol
Exact Mass371.10
IUPAC Name3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCOC[C@H]1C[C@H](n2nc(Br)c(C(N)=O)c2NCC2CC2)CN1
InChIInChI=1S/C14H22BrN5O2/c1-22-7-9-4-10(6-17-9)20-14(18-5-8-2-3-8)11(13(16)21)12(15)19-20/h8-10,17-18H,2-7H2,1H3,(H2,16,21)/t9-,10+/m1/s1
InChIKeyWWPZAMASLRRUNN-ZJUUUORDSA-N
XLogP1.12
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine
CID 162380628
3-bromo-5-(cyclopropylmethylamino)-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380639
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
CID 162380654
CID 162380654
3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380800
tert-butyl (2R,4S)-4-[3-bromo-4-carbamoyl-5-(2-methoxyethylamino)pyrazol-1-yl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 162380845
3-bromo-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380922

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 162381453) is 3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide is COC[C@H]1C[C@H](n2nc(Br)c(C(N)=O)c2NCC2CC2)CN1.
What is the InChIKey of 3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is WWPZAMASLRRUNN-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H22BrN5O2/c1-22-7-9-4-10(6-17-9)20-14(18-5-8-2-3-8)11(13(16)21)12(15)19-20/h8-10,17-18H,2-7H2,1H3,(H2,16,21)/t9-,10+/m1/s1.
What are the key properties of 3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 372.27 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(cyclopropylmethylamino)-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 162381453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).