4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine

C13H23N3O — CID 62193776

IUPAC4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine
SMILESCCCNc1c(COCC2CC2)c(C)nn1C
InChIInChI=1S/C13H23N3O/c1-4-7-14-13-12(10(2)15-16(13)3)9-17-8-11-5-6-11/h11,14H,4-9H2,1-3H3
InChIKeyWMKVEYWOKYNJFS-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.48
Rot. Bonds7

About 4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine

4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine (PubChem CID 62193776) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine.

Molecular Properties

Compound Name4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine
PubChem CID62193776
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine
SMILESCCCNc1c(COCC2CC2)c(C)nn1C
InChIInChI=1S/C13H23N3O/c1-4-7-14-13-12(10(2)15-16(13)3)9-17-8-11-5-6-11/h11,14H,4-9H2,1-3H3
InChIKeyWMKVEYWOKYNJFS-UHFFFAOYSA-N
XLogP2.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine?
The IUPAC name of 4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine (CID 62193776) is 4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine.
What is the SMILES notation for 4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine?
The canonical SMILES for 4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine is CCCNc1c(COCC2CC2)c(C)nn1C.
What is the InChIKey of 4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine?
The InChIKey is WMKVEYWOKYNJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-7-14-13-12(10(2)15-16(13)3)9-17-8-11-5-6-11/h11,14H,4-9H2,1-3H3.
What are the key properties of 4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine?
4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine has a molecular weight of 237.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine is sourced from PubChem (CID 62193776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).