N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine

C14H23N3O — CID 103140614

IUPACN-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)cnn1CC1CCC(C)O1
InChIInChI=1S/C14H23N3O/c1-10-3-6-14(18-10)9-17-11(2)12(8-16-17)7-15-13-4-5-13/h8,10,13-15H,3-7,9H2,1-2H3
InChIKeyZDEYOYVXKDJDKC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.01
Rot. Bonds5

About N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine

N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 103140614) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID103140614
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)cnn1CC1CCC(C)O1
InChIInChI=1S/C14H23N3O/c1-10-3-6-14(18-10)9-17-11(2)12(8-16-17)7-15-13-4-5-13/h8,10,13-15H,3-7,9H2,1-2H3
InChIKeyZDEYOYVXKDJDKC-UHFFFAOYSA-N
XLogP2.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 103140617
5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
CID 103219794
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 102795070
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041561
N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 103136272
4-(1-chloroethyl)-3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazole
CID 103139492
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 103132821
4-[(cyclobutylamino)methyl]-1-ethylpyrazol-5-amine
CID 117216682
N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 63866539
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 66440340

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (CID 103140614) is N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is Cc1c(CNC2CC2)cnn1CC1CCC(C)O1.
What is the InChIKey of N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ZDEYOYVXKDJDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-3-6-14(18-10)9-17-11(2)12(8-16-17)7-15-13-4-5-13/h8,10,13-15H,3-7,9H2,1-2H3.
What are the key properties of N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103140614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).