6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide

C17H15BrN6O — CID 99637493

IUPAC6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide
SMILESO=C(c1ccc(-n2cc(Br)cn2)nn1)N(CC1CC1)c1cccnc1
InChIInChI=1S/C17H15BrN6O/c18-13-8-20-24(11-13)16-6-5-15(21-22-16)17(25)23(10-12-3-4-12)14-2-1-7-19-9-14/h1-2,5-9,11-12H,3-4,10H2
InChIKeySMPMUTTWTDPVQS-UHFFFAOYSA-N
MW399.25 g/mol
LogP2.88
Rot. Bonds5

About 6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide

6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide (PubChem CID 99637493) has the molecular formula C17H15BrN6O and a molecular weight of 399.25 g/mol. Its IUPAC name is 6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide
PubChem CID99637493
Molecular FormulaC17H15BrN6O
Molecular Weight399.25 g/mol
Exact Mass398.05
IUPAC Name6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide
SMILESO=C(c1ccc(-n2cc(Br)cn2)nn1)N(CC1CC1)c1cccnc1
InChIInChI=1S/C17H15BrN6O/c18-13-8-20-24(11-13)16-6-5-15(21-22-16)17(25)23(10-12-3-4-12)14-2-1-7-19-9-14/h1-2,5-9,11-12H,3-4,10H2
InChIKeySMPMUTTWTDPVQS-UHFFFAOYSA-N
XLogP2.88
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 154837772
N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide
CID 75501481
N-(cyclopropylmethyl)-2-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 75383418
1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 99608516
N-(cyclopropylmethyl)-2-[(2R)-oxolan-2-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 97078479
2-[4-[6-(4-bromopyrazol-1-yl)pyridazine-3-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 167859648
N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 99637473
1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea
CID 30845448
5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 75433756
(3S)-5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97328176
N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 91662527
2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide
CID 154841568

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide (CID 99637493) is 6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide is O=C(c1ccc(-n2cc(Br)cn2)nn1)N(CC1CC1)c1cccnc1.
What is the InChIKey of 6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide?
The InChIKey is SMPMUTTWTDPVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN6O/c18-13-8-20-24(11-13)16-6-5-15(21-22-16)17(25)23(10-12-3-4-12)14-2-1-7-19-9-14/h1-2,5-9,11-12H,3-4,10H2.
What are the key properties of 6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide?
6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide has a molecular weight of 399.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide is sourced from PubChem (CID 99637493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).