4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine

C14H20N4S — CID 61449188

IUPAC4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(Cc2cccs2)C2CC2)c1CN
InChIInChI=1S/C14H20N4S/c1-10-13(8-15)14(17(2)16-10)18(11-5-6-11)9-12-4-3-7-19-12/h3-4,7,11H,5-6,8-9,15H2,1-2H3
InChIKeyABMDLVLZCAGNHK-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.42
Rot. Bonds5

About 4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine

4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine (PubChem CID 61449188) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
PubChem CID61449188
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(Cc2cccs2)C2CC2)c1CN
InChIInChI=1S/C14H20N4S/c1-10-13(8-15)14(17(2)16-10)18(11-5-6-11)9-12-4-3-7-19-12/h3-4,7,11H,5-6,8-9,15H2,1-2H3
InChIKeyABMDLVLZCAGNHK-UHFFFAOYSA-N
XLogP2.42
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61448745
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine
CID 55046428
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61437184
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107926092
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63817228
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63060030
4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 107081607
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61449696
3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61448831
3-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methyl-1H-1,2,4-triazole-5-thione
CID 54948060
N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 79488921

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine (CID 61449188) is 4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine is Cc1nn(C)c(N(Cc2cccs2)C2CC2)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The InChIKey is ABMDLVLZCAGNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10-13(8-15)14(17(2)16-10)18(11-5-6-11)9-12-4-3-7-19-12/h3-4,7,11H,5-6,8-9,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine has a molecular weight of 276.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 61449188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).