3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine

C18H25N5O — CID 124816023

IUPAC3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CC[C@@H](OCC3CC3)[C@H]2Cc2cnn(C)c2)nn1
InChIInChI=1S/C18H25N5O/c1-13-3-6-18(21-20-13)23-8-7-17(24-12-14-4-5-14)16(23)9-15-10-19-22(2)11-15/h3,6,10-11,14,16-17H,4-5,7-9,12H2,1-2H3/t16-,17-/m1/s1
InChIKeyHNQVMJIOWWINIC-IAGOWNOFSA-N
MW327.43 g/mol
LogP2.14
Rot. Bonds6

About 3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine

3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine (PubChem CID 124816023) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine
PubChem CID124816023
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CC[C@@H](OCC3CC3)[C@H]2Cc2cnn(C)c2)nn1
InChIInChI=1S/C18H25N5O/c1-13-3-6-18(21-20-13)23-8-7-17(24-12-14-4-5-14)16(23)9-15-10-19-22(2)11-15/h3,6,10-11,14,16-17H,4-5,7-9,12H2,1-2H3/t16-,17-/m1/s1
InChIKeyHNQVMJIOWWINIC-IAGOWNOFSA-N
XLogP2.14
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine (CID 124816023) is 3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine is Cc1ccc(N2CC[C@@H](OCC3CC3)[C@H]2Cc2cnn(C)c2)nn1.
What is the InChIKey of 3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine?
The InChIKey is HNQVMJIOWWINIC-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-3-6-18(21-20-13)23-8-7-17(24-12-14-4-5-14)16(23)9-15-10-19-22(2)11-15/h3,6,10-11,14,16-17H,4-5,7-9,12H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of 3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine?
3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine has a molecular weight of 327.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 124816023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).