trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide

C17H21N5O2 — CID 154843714

IUPACtrans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)N(CC2CCCO2)c2ccnnc2)cn1
InChIInChI=1S/C17H21N5O2/c1-21-10-12(8-20-21)15-7-16(15)17(23)22(11-14-3-2-6-24-14)13-4-5-18-19-9-13/h4-5,8-10,14-16H,2-3,6-7,11H2,1H3/t14?,15-,16+/m0/s1
InChIKeyTURGCUDBGURHHX-MERJSTESSA-N
MW327.39 g/mol
LogP1.53
Rot. Bonds5

About trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide

trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide (PubChem CID 154843714) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide
PubChem CID154843714
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Nametrans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)N(CC2CCCO2)c2ccnnc2)cn1
InChIInChI=1S/C17H21N5O2/c1-21-10-12(8-20-21)15-7-16(15)17(23)22(11-14-3-2-6-24-14)13-4-5-18-19-9-13/h4-5,8-10,14-16H,2-3,6-7,11H2,1H3/t14?,15-,16+/m0/s1
InChIKeyTURGCUDBGURHHX-MERJSTESSA-N
XLogP1.53
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide (CID 154843714) is trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide is Cn1cc([C@@H]2C[C@H]2C(=O)N(CC2CCCO2)c2ccnnc2)cn1.
What is the InChIKey of trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide?
The InChIKey is TURGCUDBGURHHX-MERJSTESSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-10-12(8-20-21)15-7-16(15)17(23)22(11-14-3-2-6-24-14)13-4-5-18-19-9-13/h4-5,8-10,14-16H,2-3,6-7,11H2,1H3/t14?,15-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 154843714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).