trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C8H11N3O — CID 129321896

IUPACtrans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(N)=O)cn1
InChIInChI=1S/C8H11N3O/c1-11-4-5(3-10-11)6-2-7(6)8(9)12/h3-4,6-7H,2H2,1H3,(H2,9,12)/t6-,7+/m0/s1
InChIKeySIHLJHYMTXNZSM-NKWVEPMBSA-N
MW165.20 g/mol
LogP0.01
Rot. Bonds2

About trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 129321896) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID129321896
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Nametrans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(N)=O)cn1
InChIInChI=1S/C8H11N3O/c1-11-4-5(3-10-11)6-2-7(6)8(9)12/h3-4,6-7H,2H2,1H3,(H2,9,12)/t6-,7+/m0/s1
InChIKeySIHLJHYMTXNZSM-NKWVEPMBSA-N
XLogP0.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 129321896) is trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@@H]2C[C@H]2C(N)=O)cn1.
What is the InChIKey of trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is SIHLJHYMTXNZSM-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-4-5(3-10-11)6-2-7(6)8(9)12/h3-4,6-7H,2H2,1H3,(H2,9,12)/t6-,7+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 165.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 129321896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).