N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine

C13H17N5 — CID 61272914

IUPACN-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(-c2ncccn2)c(C)c1CNC1CC1
InChIInChI=1S/C13H17N5/c1-9-12(8-16-11-4-5-11)10(2)18(17-9)13-14-6-3-7-15-13/h3,6-7,11,16H,4-5,8H2,1-2H3
InChIKeyLCSVRSDKBVVBGP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.53
Rot. Bonds4

About N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine

N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 61272914) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID61272914
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(-c2ncccn2)c(C)c1CNC1CC1
InChIInChI=1S/C13H17N5/c1-9-12(8-16-11-4-5-11)10(2)18(17-9)13-14-6-3-7-15-13/h3,6-7,11,16H,4-5,8H2,1-2H3
InChIKeyLCSVRSDKBVVBGP-UHFFFAOYSA-N
XLogP1.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 107431061
N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648107
N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648091
N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62287746
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62123677
N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43410533
4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol
CID 79355509
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 43281591
N-[[3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648111
N-[[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 43648088
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine (CID 61272914) is N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine is Cc1nn(-c2ncccn2)c(C)c1CNC1CC1.
What is the InChIKey of N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is LCSVRSDKBVVBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-12(8-16-11-4-5-11)10(2)18(17-9)13-14-6-3-7-15-13/h3,6-7,11,16H,4-5,8H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 243.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61272914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).