2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine

C14H18N4 — CID 61221388

IUPAC2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine
SMILESCC1(C)CC1NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H18N4/c1-14(2)6-12(14)16-8-11-9-17-18-13(11)10-4-3-5-15-7-10/h3-5,7,9,12,16H,6,8H2,1-2H3,(H,17,18)
InChIKeyMZVOSXIULLYZIJ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.36
Rot. Bonds4

About 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine

2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine (PubChem CID 61221388) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine
PubChem CID61221388
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine
SMILESCC1(C)CC1NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H18N4/c1-14(2)6-12(14)16-8-11-9-17-18-13(11)10-4-3-5-15-7-10/h3-5,7,9,12,16H,6,8H2,1-2H3,(H,17,18)
InChIKeyMZVOSXIULLYZIJ-UHFFFAOYSA-N
XLogP2.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine (CID 61221388) is 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine is CC1(C)CC1NCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is MZVOSXIULLYZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2)6-12(14)16-8-11-9-17-18-13(11)10-4-3-5-15-7-10/h3-5,7,9,12,16H,6,8H2,1-2H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine?
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 242.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 61221388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).