5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine

C14H24BrN5O2 — CID 162380628

IUPAC5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1.NC(=O)c1c(NCC2CC2)n[nH]c1Br
InChIInChI=1S/C8H11BrN4O.C6H13NO/c9-6-5(7(10)14)8(13-12-6)11-3-4-1-2-4;1-8-5-6-3-2-4-7-6/h4H,1-3H2,(H2,10,14)(H2,11,12,13);6-7H,2-5H2,1H3
InChIKeySITGUVDFFVTMLQ-UHFFFAOYSA-N
MW374.28 g/mol
LogP1.48
Rot. Bonds6

About 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine

5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine (PubChem CID 162380628) has the molecular formula C14H24BrN5O2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine
PubChem CID162380628
Molecular FormulaC14H24BrN5O2
Molecular Weight374.28 g/mol
Exact Mass373.11
IUPAC Name5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1.NC(=O)c1c(NCC2CC2)n[nH]c1Br
InChIInChI=1S/C8H11BrN4O.C6H13NO/c9-6-5(7(10)14)8(13-12-6)11-3-4-1-2-4;1-8-5-6-3-2-4-7-6/h4H,1-3H2,(H2,10,14)(H2,11,12,13);6-7H,2-5H2,1H3
InChIKeySITGUVDFFVTMLQ-UHFFFAOYSA-N
XLogP1.48
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine?
The IUPAC name of 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine (CID 162380628) is 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine is COCC1CCCN1.NC(=O)c1c(NCC2CC2)n[nH]c1Br.
What is the InChIKey of 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine?
The InChIKey is SITGUVDFFVTMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O.C6H13NO/c9-6-5(7(10)14)8(13-12-6)11-3-4-1-2-4;1-8-5-6-3-2-4-7-6/h4H,1-3H2,(H2,10,14)(H2,11,12,13);6-7H,2-5H2,1H3.
What are the key properties of 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine?
5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine has a molecular weight of 374.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 162380628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).